pankajdaga80

About Me

SUMMARY

More than 5 years diverse research experience in computational drug discovery

Industrial experience in handling multiple projects in drug design

Expert in handling various commercially available molecular modeling tools and software


SKILLS AND EXPERTISE

Structure-Based Drug Design. Knowledge-Based protein modeling, Molecular Dynamics Simulations, Docking, Protein-ligand interactions to design small molecule modulators, Binding Energy calculations

Ligand-Based Drug Design. Pharmacophore mapping and Analysis, QSAR, QSPR, ADME properties prediction, hands on experience with cheminformatics tools using machine learning methods

Virtual Screening. Ligand-Based and Structure-Based Virtual Screening and data mining


SOFTWARE SKILLS

     SCHRODINGER Inc. – MAESTRO (Glide, Prime, Ligprep, QuickProp, MCPRO+)

    Accelrys Inc. InsightII (Discover, Homology, Biopolymer, Modeler), CATALYST (Hypogen, Hiphop), CERIUS2 (QSAR, ADME), Discovery studio2.0

    Tripos Inc. SYBYL (CoMFA, Composer, Selector, FlexX, Dock, Flexidock, Unity)

    Others- AMBER, GOLD, CONCORD, SCWRL, PyMOL


PROFESSIONAL AFFILIATIONS

    American Chemical Society

    American Association of Advancement of Sciences

    American Association of Pharmaceutical Sciences

Subpages (1): My documents