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Computational Skills


Softwares (molecular modelling)

Molecular dynamics: AMBER , Gromacs

Molecular docking: Autodock, FlexX, GLIDE

QSAR: Tripos Sybyl

Miscellaneous: PyMol, UCSF Chimera, VMD, Cytoscape, Maestro (academic version), LigPlot, Poseview, Plumed

Operating Systems

Mac, Windows, Linux


RIN generator, NeEMO, MetaPocket, Sitehound, Mcule, ZINC etc.

Statistical tools

XmGrace, Origin, GnuPlot, Micosoft Excel


bash scripting

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