Monday, 12 November 2012

Postdoctoral Position in NY

Postdoctoral Position in NY: Molecular and Coarse-Grained Models of Polymers, Drugs, Membranes, Proteins
The Department of Chemistry at City University of New York (CUNY)-College of Staten Island seeks a postdoctoral associate with interdisciplinary training to conduct computational-based research within the research group of Dr. Sharon Loverde. The work will be interdisciplinary covering molecular self-assembly, coarse-grained model development, hydrophobic drug solubility in polymers and membranes, and protein-membrane interactions.

Applicants must have a Ph.D. in chemistry, physics, egineering, pharmacology, or a related field. Applicants should have experience with common molecular simulation techniques (molecular dynamics, Monte Carlo) in a Linux environment.

Experience in TCL scripting and familiarity with LAMMPS, NAMD, VMD, HOOMD-blue would be a significant advantage, but is not required.
Additionally, experience working with mixed CPU/GPU or GPU based molecular dynamics codes are a plus, as well as experience with NSF XSEDE computational resources.
 
City University of New York-College of Staten Island is located in southwest New York City, easily accessible to Manhattan, Brooklyn, and the other boroughs of NYC. Additionally, College of Staten Island is home to a rapidly growing High Performance Computing facility (http://www.csi.cuny.edu/cunyhpc/). The position is available for a one year contract initially, and extendable for up to two years, dependent on mutual agreement. For this position, the successful candidate will be able to communicate effectively in both written and spoken English. Please send a letter describing your research interests and expertise, along with a curriculum vitae in PDF format via email, to Prof. Sharon Loverde: sharon.loverde@csi.cuny.edu https://sites.google.com/site/loverdelaboratory/home

Tuesday, 6 November 2012

Computational Science Postdoctoral Fellowship

Computational Science Postdoctoral Fellowship - 75275
Organization: CR-Computational Research
The Scientific Computing Group in the Computational Research Division at
Lawrence Berkeley National Laboratory has an immediate postdoctoral
fellow opening in the area of development and applications of computational
algorithms enabling discovery and characterization of functional electronic
materials.

SPECIFIC RESPONSIBILITIES:

The successful candidate will participate in research activities focused on
 development and applications of novel algorithms, approaches and software
in the area of material informatics. Of particular interest is the development
of capabilities 1) enabling enumeration, generation and characterization of
 defects in crystals, as well as 2) enabling automatic structure analysis and
structural descriptor generation for efficient materials screening as well as
data mining. The successful candidate will help to integrate the developed
software into the Materials Project (http://www.materialsproject.org/),
enabling users worldwide to efficiently discover and characterize diverse
electronic materials. This person will be placed in a Scientific Computing
Group team led by Dr. Maciej Haranczyk and will collaborate with researchers
of the recently funded DOE BES Center for Functional Electronic Materials, in
particular, the groups of Prof. Mark Asta (UC Berkeley) and Dr. Kristin Persson (LBNL).

KEY SUCCESS FACTORS:

- Ph.D. in Cheminformatics/Material Informatics, Computational
 Chemistry/Material Science, Computer Science, Applied Mathematics or a
related field within the last three years, with a strong background in
programming.
- A knowledge of crystal structure analysis (involving group theory, analysis
of symmetry, defects and topology of periodic structures) is highly desirable.
- Experience in cheminformatics/material informatics techniques (structure
enumeration, QSPR, data mining) as well as material modeling techniques is a plus.
- The successful candidate should be able to program proficiently in C/C++
and Python.
- Excellent communication skills and being able to work independently are
 essential.

KEY SKILLS:

Scientific computing, Cheminformatics/Material informatics, Programming
(C/C++ and Python)
Equal Employment Opportunity: Berkeley Lab is an affirmative action/equal
 opportunity employer committed to the development of a diverse workforce.
Apply directly online at http://bit.ly/lbl75275CCL and follow the on-line
instructions to complete the application process.

Saturday, 20 October 2012

PhD Studentship on Structural Informatic Analysis of the Protein/Ligand Interface


This 4 year studentship, due to start Jan-Mar 2013, is a collaboration
between the Department of Biochemistry, University of Cambridge, the
Cambridge Crystallographic Data Centre and UCB Pharma, a global 
pharmaceutical company. It is funded under the BBSRC Industrial CASE 
Award scheme and BBSRC UK Residency criteria apply.

Please see the link below for further details and how to apply:

http://beta-www.ccdc.cam.ac.uk/CCDC/Careers/pages/Careers.aspx

Two Ph.D. Studentship in Computational Chemistry


Two Ph.D. student positions are available in Prof. Qian's group in 
computational chemistry at the Department of Chemical Engineering, 
University of Arkansas starting immediately. The research topics in
Prof. Qian's group focus on biomass conversion to biofuels, responsive
polymers, salt effects on protein folding and unfolding. A variety of 
computational tools are used including quantum mechanical methods,
classical and ab initio molecular dynamics simulations and QM/MM.
  
Interested candidates please contact: 
Prof. Xianghong Qian
Department of Chemical Engineering
University of Arkansas
Tel: 479-575-8401
Email: xqian@uark.edu

Applications Scientist


Schrodinger, a technology leader specializing in software solutions for
life science research and development, is searching for an Applications
Scientist to be based in Cambridge, MA. Applications Scientists work on
the development of new computational methods for drug discovery,
scientific publications, and assist customers with using Schrodinger
software to solve challenging scientific problems.

Applications Scientists also work at the interface between customers and
Schrodinger software developers, sales, and marketing.  Responsibilities
include engaging in scientific discussions with customers, giving
presentations at conferences, demonstrating optimal use of the software,
and providing customer training. Collaborative projects with customers,
presentations at scientific meetings, and publication is encouraged.

Applications Scientists gain familiarity with our entire suite of
structure-based and ligand-based software, including packages for
docking, molecular simulations, homology modeling, pharmacophore
modeling, cheminformatics, and quantum mechanics. A strong background in
molecular modeling and computational chemistry with application to
biological problems is highly desired. Exceptional communication skills,
an outgoing personality, and a willingness to travel are required.

Requirements:
- Ph.D. in computational chemistry or biophysics plus experience with
  pharmaceutical applications of molecular modeling software tools

- Excellent interpersonal, communication, and organizational skills

- Strong problem-solving ability

- A broad knowledge of molecular modeling theory and applications

- Ability to conduct independent research

Preferred:
- Post-doctoral research and/or relevant experience in the commercial sector

- Python programming experience

Schrodinger is an equal opportunity employer.
Please visit our website at:  www.schrodinger.com/careers .

PFIZER - Systems Biologist/Toxicologist


We are looking to recruit a Senior Scientist/Principal Scientist for the 
Compound Safety Prediction group (CSP). The CSP group develops and applies 
computational modeling techniques (for physico chemical properties, 
structure activity relationships and biological pathways) in concert with 
mechanism-based screening tools (cell based, in vivo "biosensors" and high 
content biology platforms) to help select the safest chemical substrate. 
Underpinning all of this is a scientific focus on identifying and 
characterizing broad underlying biological mechanisms associated with 
undesired toxicity endpoints. This is an exciting new function for 
Worldwide Research & Development (WRD), with the opportunity to have a 
very positive and impactful contribution to the quality of our portfolio.

This position is for a systems biologist or systems toxicologist to work 
within the Chemical and Biological Mechanisms Group, where the candidate 
will help design and conduct research projects to improve our understanding 
of basic toxicity mechanisms. It will require someone who can put existing 
high-content results and data into biological context in terms of the 
molecular pathways and use this to design experiments that would add 
further understanding or value to the interpretation of the assay results. 
Such results and data may include high content biology/systems biology 
platforms and require knowledge and experience of computational approaches 
for data mining such or pathway mapping.  The position will also be 
expected to make recommendations for follow-on testing to confirm 
hypotheses or design and execute experimental confirmation of the 
mechanisms indicated from their analysis.

WORK EXPERIENCE: 
Experience in molecular biology or toxicology with experience in high 
content data mining / analysis (e.g., ~omics technologies) and multi-
parametric data modeling with a background in one or more of the following: 
 Transcriptomics / Gene Expression data sets
 Proteomics 
 Metabonomics 
 Signal transduction 
 Molecular toxicology

Please apply on-line at our website, www.pfizercareers.com and search for
Job ID 969499.

Postdoc, Compotational Chemistry/Biology


The Center for Integrative Chemical Biology and Drug Discovery (CICBDD) in 
the UNC Eshelman School of Pharmacy is engaged in the discovery of 
small-molecule therapeutics and chemical probes for biomedical research. 
At the CICBDD, chemists, biologists and computational scientists work 
closely together in multidisciplinary project teams. More information about 
the Center can be found at http://www.pharmacy.unc.edu/research/centers/center-for-integrative-chemical-biology-and-drug-discovery.

We are currently looking for a creative, independent and highly motivated 
individual to join our research effort in developing and applying 
computational approaches to chemical biology and drug discovery. The 
appointee is expected to perform large-scale data analyses on heterogeneous 
data sets, such as outputs from molecular dynamics, virtual and biochemical 
screening experiments. He will make use of state-of-the-art data processing 
tools (such as R, Matlab, Pipeline Pilot, etc) and develop new advanced 
methodologies. He will also run virtual screening experiments, contribute 
to structure-based drug design in close collaboration with medicinal 
chemists and biologists, and contribute to the development of informatics 
tools for the Center.

The successful candidate will have a Ph.D. degree in Computational 
Chemistry/ Biology or a related discipline, a demonstrable track record 
in computer-aided drug design and familiarity with major modeling/simulation 
software, data analysis and chemoinformatics tools. Computer programming and scientific writing skills will be an asset.

This position will report to Professor Dmitri Kireev, Director of 
Computational Drug Discovery. More information on his research interests, 
projects, publications and track record can be found at 
http://www.pharmacy.unc.edu/Directory/kireev.
The position is available immediately. Qualified applicants should send a CV 
by email to Dr. Kireev at dmitri.kireev@unc.edu and be ready to provide at 
least 2 reference letters. Applications will be considered until the 
position is filled.

Friday, 19 October 2012

PhD fellowships - Ecole Polytechnique Federal de Lausanne


Two computational/theoretical chemistry PhD positions are available in the Laboratory for 
Computational Molecular Design headed by Prof. Clemence Corminboeuf at the Swiss Federal 
Institute of Technology (EPFL, Lausanne). 

The PhD fellowships are available in the framework of the ERC-Starting Grant (project COMPOREL)awarded to C. Corminboeuf.

The objective of the COMPOREL project is to develop a computational screening approach for identifying promising molecular precursors to organic electronics.

The candidates should have a Master degree in Chemistry (Theoretical, Physical) or Physics and 
experience in computational/theoretical chemistry. Knowledge of Linux-/Unix-based computer 
systems and Fortran programming languages is desirable. 

The two fellowships are for 4 years. The annual salaries are roughly 50,000 CHF.
PhD positions at EPFL require acceptance in the doctoral program of Chemistry and 
Chemical Engineering. Interested candidates should fill an application at:

http://phd.epfl.ch/edch

For detailed information on the projects, interested candidates are encouraged to 
contact Clemence Corminboeuf by email at clemence.corminboeuf@epfl.ch and include a CV,
a brief description of research interests.

Friday, 24 February 2012

Internship Project - A fully Open Chemically Searchable ChEMBL

For a long time now we have been keen to release a full and freely deployable version of the ChEMBL database with compound search capabilities built in. This has been possible in the past, but complicated by commercial licenses associated with either the databases or the chemical cartridges. There are now a number mature Open Source chemical toolkits available, such as the excellent CDK, and RDKit.

So with that brief bit of background there is now an opportunity for an intern to work in the ChEMBL group on the project for 2-3 months. The idea is will be to setup a process which:

  1. Creates a PostgreSQL version of the ChEMBL database (database required by RDKit).
  2. Install the RDKit chemical cartridge.
  3. Migrate this setup to Amazon Web Service public image.
  4. Migrate existing (or new) ChEMBL interface to run off new database and package this up into AWS image.
  5. Develop scripts to allow new releases of ChEMBL to be processed and uploaded as a new AWS image.
Actually some work has already been done in the public domain, and this will act as a good starting point for someone wanting to learn more about the data and technologies.

If you are looking for internship this year and have interest in the area of cheminformatics tools and some relevant experience please get in touch (as potential interns, we appreciate you may not have years of industry experience, but we would require you to have previous experience with relational databases and be competent in at least one programming language).

Friday, 17 February 2012

Molecular Modeller (HAR-605)

Molecular Modeller (HAR-605)

We have an opportunity for a molecular modeller with industrial experience and a track record of excellence to join our Computer-aided Drug Design (CADD) group.
The main responsibilities associated with the role are as follows:
  • To work in interdisciplinary teams and actively contribute to all stages of our clients’ drug discovery projects from hit identification to candidate nomination
  • To perform structure- and ligand-based molecular design including protein modelling and virtual screening
  • To evaluate, implement or acquire, and apply new CADD methodologies and techniques
You should possess the following qualifications:
  • A first degree in chemistry or a closely related subject
  • A PhD in a field of relevance to molecular modelling
  • At least 5 years of molecular modelling experience within the pharmaceutical or biotech industries
  • A sound knowledge of molecular modelling software, data pipelining tools and Linux (experience of Schrödinger’s software would be advantageous)
  • Some programming/scripting skills (e.g., C/Java, Python) would be desirable
  • Strong interpersonal, communication and presentation skills
At Galapagos and Argenta, we aim to recruit the best people, who stand out among their peers, with integrity and excellent interpersonal and organizational skills. Our employees are the strength behind Galapagos, a highly motivated team, eager to maintain Galapagos’ leading position and achieve breakthroughs in pharmaceutical research. Galapagos offers a competitive remuneration package and a dynamic work environment.
Do you have the qualifications for this job opening and are you up to the challenge of joining our entrepreneurial team? If so, please send your application (preferably by e-mail) to: argenta_jobs@glpg.com.

Computational Chemist (CRP-427) Saffron Walden, near Cambridge, UK

Computational Chemist (CRP-427) Saffron Walden, near Cambridge, UK

As part of continued expansion, BioFocus is increasing the size of its computational chemistry group, based at its Head Office near Cambridge, UK. You will be working alongside BioFocus’ Scientists in Biology and ADME/PK departments as well as Medicinal Chemistry with a diversity of global organizations in a variety of therapeutic areas and will be making a real impact on projects from the start.
As an enthusiastic individual with excellent problem solving abilities and a desire to succeed and learn, you will provide innovative solutions to continuingly evolving problems on both multidisciplinary and stand alone computational chemistry projects. You must have the ability to multitask and deliver to tight deadlines.
Clear and compelling communication skills, both written and oral, are vital and you must be a confident presenter and able to think on your feet.
Technical competences must include a strong scientific background with exposure to the pharmaceutical industry. A skill set including experience in structure-, ligand- or fragment-based methodologies is paramount. Familiarity with software such as Moe, Cresset, Discovery Studio, Pipeline Pilot and the Schrödinger suite is an advantage. You must have the right to work for any company in the UK.
Do you want to work in a challenging and rewarding culture that will offer the opportunity to develop and broaden your horizons? Would you like to work in a dynamic and entrepreneurial organization and join a successful and established computational chemistry group under pinned with an excellent hardware and software infrastructure where you will have the opportunity to have an impact? If so, we want to hear from you!
At Galapagos, BioFocus and Argenta, we aim to recruit the best people, who stand out among their peers, with integrity and excellent interpersonal and organizational skills. Our employees are the strength behind Galapagos, a highly motivated team, eager to maintain Galapagos’ leading position and achieve breakthroughs in pharmaceutical research. Galapagos offers a competitive remuneration package and a dynamic work environment.
To apply, please send your CV and a covering email to biofocus_jobs@glpg.com.

Postdoc in Theory and Computation @ Alexandrova Lab, UCLA, USA


Position is open immediately.

Required qualifications
:
strong background in quantum chemistry, knowledge of statistical mechanics, programming and scripting skills;

Preferred qualifications
: experience in simulations of biological molecules, or materials.
Email your CV and cover letter indicating your interests and qualifications, and arrange for 2 letters of recommendation to be emailed directly to Prof. Alexandrova (ana@chem.ucla.edu). 

For more information of Alexandrova lab's research:  http://www.chem.ucla.edu/~ana/

Website:

Ph.D. - Computational Chemistry

Ph.D. students and Postdoctoral researchers (three positions in total)

We are seeking Ph.D students and postdoctoral researchers for projects involving protein structure prediction and virtual screening. There has been a dramatic increase of structural information for GPCRs during the last five years. We are interested in how the recently published crystal structures of GPCRs can be used to generate accurate models for receptors of unknown structure. The project involves (1) Development of new approaches for homology modeling of GPCRs and (2) Structure-based discovery of ligands to GPCRs (both crystal structures and models) using molecular docking. All projects are carried out in close collaboration with experimental groups.

We are also seeking Ph.D. students and postdoctoral researchers for a project involving molecular dynamics (MD) simulations of membrane receptors. The recently published structures of GPCRs in different stages of activation have made it possible to use molecular simulations to study how these receptors work at atomic resolution. The project will also involve development and application of methods for predicting GPCR-ligand binding affinities from MD simulations.


The ideal background for the Ph.D positions is a M.Sc in chemistry or physics. Candidates for the postdoctoral researcher positions should have experience from molecular modeling techniques, e.g. molecular docking and molecular dynamics simulations.

Interested? Contact me!

Post-Doc Computational Chemistry

Three post-doctoral positions in my research group.
The research topics will include modeling and simulation of RNA molecules (riboswitches) and of RNA-protein complexes (RNA-helicases). The techniques used will range from atomistic molecular dynamics, combined with advanced accelerating techniques (replicaexchange, metadynamics, etc), to coarse-grain modeling using Gaussian network models, to secondary-structure prediction methods for RNA.The involved people up to now are: me as the principal investigator, Prof. Cristian Micheletti as an expert of coarse-grain models, Dr. Francesco Colizzi, a pharmaceutical chemist currently doing a post-doc in SISSA, and Francesco Di Palma, a PhD student. We also have collaborations with several experimental groups interested in these topics.

There will be space for both method-development and applicative research lines. Ideal candidates would be computational physicists or chemists, but we will be happy to consider also more biological-oriented profiles (e.g. bioinformatics or pharmaceutical chemistry) if they have a strong experience with simulations.

The post-doctoral positions will be paid by an Italian national grant (FIRB - Futuro in Ricerca 2010) and should start before end 2012. Their salary will be proportional to their experience and competitive with respect to European standards.

For more information, contact me as soon as possible.

Principal Investigator, Computational Chemistry

Principal Investigator, Computational Chemistry

Opportunity to join the drug discovery group of a rapidly growing pharmaceutical company in Cambridge, MA. Connect with me on Linkedin or tryan@istaffinc.com for details.

Monday, 16 January 2012

Project at the Institute of Structural Biology, Grenoble, France

Coupled Electron Transfer Processes in Proteins

This thesis project will study coupled electron transfer processes (CETPs) in proteins using molecular modeling and simulation techniques. Electron transfer (ET) is an essential element of many biological transformations, but it rarely occurs in isolation and is most often found coupled to additional processes, such as light excitation, proton transfer and other types of chemical reaction. Although ET itself is well understood at a theoretical level, CETPs still present significant challenges. This project aims to investigate CETPs in two classes of system. The first are the fluorescent proteins for which CETPs have been implicated in many of the processes, including blinking, bleaching and radiation damage, that limit
their usefulness in molecular biological applications. The second are artificially designed hydrogen-evolving complexes that use light to generate the necessary source of electrons for hydrogen production. The project will require some method development, given the current state-of-the-art, but the core of the project will focus on the applications, in close collaboration with experimental groups.

Contact: martin.field@ibs.fr.

Applications must be made on the IRTELIS website
(http://www-dsv.cea.fr/PhDtraining or http://www-dsv.cea.fr/phd-program)

before the beginning of March 2012. Interviews of selected candidates will be held later, normally in May. Starting date is September or October 2012.

Jobs in Molecular Modeller

Argenta (Harlow, UK) has an opportunity for a molecular modeller with industrial experience and a track record of excellence to join our Computer-aided Drug Design (CADD) group.

The main responsibilities associated with the role are as follows:

* To work in interdisciplinary teams and actively contribute to all stages of our clients drug discovery projects from hit identification to candidate nomination

* To perform structure- and ligand-based molecular design including protein modelling and virtual screening

  * To evaluate, implement or acquire, and apply new CADD methodologies and techniques

You should possess the following qualifications:

* A first degree in chemistry or a closely related subject

* A PhD in a field of relevance to molecular modelling
* At least 5 years of molecular modelling experience within the pharmaceutical or biotech industries
* A sound knowledge of molecular modelling software, data pipelining tools and Linux (experience of Schrdingers software would be advantageous)
* Some programming/scripting skills (e.g., C/Java, Python) would be desirable
* Strong interpersonal, communication and presentation skills

At Galapagos and Argenta, we aim to recruit the best people, who stand out among their peers, with integrity and excellent interpersonal and organizational skills. Our employees are the strength behind Galapagos, a highly motivated team, eager to maintain Galapagos leading position and achieve breakthroughs in pharmaceutical research. Galapagos offers a competitive remuneration package and a dynamic work environment.

Do you have the qualifications for this job opening and are you up to the challenge of joining our entrepreneurial team? If so, please send your application (preferably by e-mail) to argenta_jobs@ glpg.com.

Please see also the Argenta website:
http://www.argentadiscovery.com/careers/current-opps.htm#Modeller

PhD in computational biophysics

Project 'Molecular simulations of biological processes of protein kinases and peroxiredoxins.'

Project description:
Protein dynamics is a crucial element in protein function, including protein association/dissociation, folding, aggregation, and enzyme catalysis, and many diseases are implicated to develop by disrupting protein dynamics.  However, despite the importance of protein dynamics on cellular function and diseases, the fundamental principles of the interplay between protein dynamics and function are less understood. This limits the development of new therapeutic approaches treating diseases, such as, cancer and Alzheimer's disease. In my research lab, we aim to unravel the roles of protein dynamics on function by applying theory and high level computations. Computational approaches are currently the only way yielding detailed information at the atomic level. Our primary targets are protein kinases and perioxiredoxins, as they are implicated in cancer and other diseases, thus, having important biophysical and medicinal interests. We also actively develop new simulation techniques and models to facilitate the study.

The research project that the successful applicant will work on involves  the characterization of conformational dynamics of protein kinases and catalytic mechanisms involved in the function of kinase. This work will involve state-of-the-art computer simulation techniques, including but not limited to molecular modeling, molecular dynamics simulations, and quantum mechanics. The project will be carried out by using high performance computers available at HPC2N (http://www.hpc2n.umu.se).

Prerequisites:
The recruitment procedure will follow the Higher Education Ordinance  (Hogskoleforordningen Chapters 5 and 7).

Prerequisites include either
i) 240 ECTS credits (Swe. Hogskolepoang) of higher education studies of  which 60 should be on an advanced level (Master level) with focus on chemistry or biophysics or ii) 120 Swedish (old) credits (Swe. Poang; corresponding to 180 ECTS credits) of higher education studies if they were taken before July 1, 2007 or equivalent competence. Advanced course(s) or experiences in computer programming, high-performance computations, and/or NMR or X-ray spectroscopy are a plus, as well as evidence of proficiency in written and oral communication in English.

Application:
The application should contain a CV, including academic grades and relevant documentation, and a personal letter describing yourself and your reasons for applying to this position. Contact information of at least two referees, familiar with the applicant's qualifications should be provided. 

Documents should preferably be sent electronically and should be in MS Word or PDF format. Since we strive for a more equal gender distribution within our department, we especially encourage female applicants.

For more information please contact:
Dr. Kwangho Nam, phone +46 (0)90 786 65 70,
e-mail:Kwangho.Nam@chem.umu.se.

The procedure for recruitment for the position is in accordance with the  Higher Education Ordinance (chapter. 12, 2 $) and the decision regarding the position cannot be appealed. Union information is available from SACO, +46-(0)90-786 53 65, SEKO, +46-(0)90-786 52 96 and ST, +46-(0)90-786 54 31.

Your complete application, marked with reference number 313-1188-11, should be sent to jobb%%umu.se(state the reference number as subject) or to the Registrar, Umea University, SE-901 87 Umea, Sweden to arrive January 31, 2012 at the latest.

PhD in Simulations of Ion Transport in Biology

PhD in Simulations of Ion Transport in Biology Job ID 123001, USD, Denmark

A PhD scholarship in simulations of ion transport in biology is available at the Department of Physics, Chemistry and Pharmacy (FKF), University of Southern Denmark immediately. This position arises out of a Lundbeck Young Group Leader Fellowship awarded to Dr Himanshu Khandelia for an interdisciplinary project titled Investigation of the Molecular Basis of Neurological Diseases Related to Ion Pumps Using Molecular Simulations. 

The project is associated with MEMPHYS-Center for Biomembrane Physics.

Application deadline is 7 February, 2012 at 12 o'clock noon.

Please see the full call, including how to apply, on http://www.jobs.sdu.dk

Postdoc in Computational Physical Chemistry, Utah

Mechanisms of Crystallization of Ice and Clathrate Hydrates.

Applications are invited for a Postdoctoral Researcher to work with Professor Valeria Molinero  at the Department of Chemistry in The University of Utah, to investigate the nucleation pathways of ice and clathrate hydrates using molecular simulations.(1-10)

We are looking for a highly motivated and independent postdoctoral researcher with experience  in applying computational methods to solve complex scientific problems and a strong record of scholar work and publication. The research will involve the development of order parameters for the investigation of the nucleation pathways of ice and clathrate hydrates, the use of advanced sampling methods to determine the reaction coordinates, free energies, and crystallization rates and elucidate the structure and size of the critical nuclei along a wide range of thermodynamic conditions, and the development of analysis tools to investigate the structure and polymorph selection in these systems.

The Molinero group benefits from excellent computational facilities within the Center for High Performance Computing. This project is part of an NSF funded collaborative project with Professors Sum, Wu and Beckham (Colorado School of Mines) and Peters (UCSB) with whom we will tackle the development of novel sampling methods and a multiscale approach to the elucidation of the mechanisms of formation of ice and clathrates.

Start Date: the position is available immediately.


Salary: Highly competitive and commensurate with experience.


Appropriate Background: The applicant should hold a PhD in Computational/Physical Chemistry,  Physics, Chemical or Materials Engineering, or related field and have a strong background and experience in molecular simulation, computer programming, and statistical mechanics.

The applicant should have strong written and oral communication skills.

To apply:
Email your CV, publication list and contact details of three references to valeria.molinero@utah.edu. 

In your cover letter, please indicate the particulars of your background that make you a suitable
candidate for this position.

Postdoc in Structural Bioinformatics and Biomolecular Modeling

Center for Computational Medicine and Bioinformatics (CCMB) at the University of Michigan,  Ann Arbor has postdoctoral openings in structural bioinformatics and biomolecular modeling.

The Grant lab ( http://thegrantlab.org/ ) is pursuing an unprecedented understanding of the  structure, dynamics and interactions of key biomolecules. Current projects focus on molecular motor and molecular switch systems, and entail the development and application of state-of-the-art computational techniques to facilitate efficient inhibitor development and the engineering of novel biomachines.

Ideal candidates will have a strong quantitative background (Ph.D. in bioinformatics, computational biology or related field); Extensive knowledge of molecular simulation protocols (molecular dynamics, Brownian dynamics), and computer programming (R, Python, C); Excellent communication skills, and a high level of enthusiasm to engage with experimental scientists. Candidates with interdisciplinary training in biology and computing are especially encouraged to apply.

Review of applicants begins immediately and will continue until the positions are filled. To be  considered as an applicant you should send a CV, contact information of three references and a one-page cover letter describing prior research experience and suitability to Professor Grant (bjgrant@umich.edu).

Please combine all files into one PDF, and use the subject line Postdoc Application: (name of the applicant).

Postdocs in Computational Biochemistry

Postdoctoral openings are available in the group of Michael Feig at  Michigan State University to work on the development and application of biomolecular simulation techniques. Specifically, we are looking to fill positions in two separate areas: 

1) Mechanistic studies of protein-nucleic acid complexes and
2) Protein structure prediction and refinement.

Both positions require a Ph.D. in chemistry, physics, biophysics,  biochemistry or related fields, extensive previous training in biomolecular simulation methodology, excellent communication skills, computer programming skills, a publication track record indicative of high scientific productivity, and a high degree of motivation to carry out research in this area.

Further information about research in the Feig group is available at  http://feig.bch.msu.edu

The positions are available immediately with salaries at current  NIH levels.

To apply, please send a CV to feig@msu.edu