Job Description

Designation:
Computational Structural Biology/Structural Bioinformatics Background:
PMC Group, , an international chemical company headquartered in Mount Laurel , NJ , seeks an outstanding Computational Chemist for PMC Advanced Technology division. located at PMC Rubber Chemicals, Rishra, West Bengal, India. In this division we will conceive, manage, innovate, plan, direct and implement new computational chemistry algorithms, with a specific emphasis on software development projects that are central to modeling and designing enzymes. Applications to pharmaceutical synthesis will also be explored. Major Duties/Responsibilities:
The successful candidate will develop computational platforms for the design of functional proteins, including physics-based modeling of active site structure; quantum chemical simulation of reactive chemistry based on mixed quantum/molecular mechanics simulations, and computational sampling of protein sequence and structural space. He/she will borrow from or rewrite high-resolution structure prediction algorithms from the public domain as needed, integrating these with in-house algorithms for rapidly searching sequence space. Ab initio methods will be combined with homology-based structure prediction as needed. The successful candidate will also apply developed tools with experimental collaborators, delivering computationally predicted sequence libraries to molecular biology labs for experimental testing. Qualifications and Skills Ph.D. from top Indian scientific institution in Computational Chemistry, Structural Biology, Biophysics, or related discipline Experience with molecular dynamic simulations, free energy calculation, force field development, density functional theory, quantum chemistry, and hybrid QM/MM simulation Scripting experience in Python required Experience in PyMol required Expertise in computational protein structural modeling required Experience with Chem-Informatics toolkits and packages (e.g. Schrodinger, MOE, KNIME, ChemAxon, CambridgeSoft) preferred Experience with QM/MM software packages such as Schrodinger (QSite), Cp2k, or Nwchem preferred Experience with protein-ligand docking using Flexx or Glide Experience with MD software packages such as AMBER, GROMACS, CHARMM, or NAMD preferred Proficiency in homology modeling using programs such as Modeller, SegMod/ENCAD Facility working in a Unix/windows environment Job Types: Full-time, Regular / Permanent Education:

• Doctorate (Preferred)

• total work: 5 years (Required)