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:

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

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.

- 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

- 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: .

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.

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
 Signal transduction 
 Molecular toxicology

Please apply on-line at our website, 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

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
The position is available immediately. Qualified applicants should send a CV 
by email to Dr. Kireev at 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:

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