Computer Skills:
QM and QM /MM : Gaussian03 package, Gaussian09 package, Jaguar, QSite (Schrödinger)
MD Simulation : AMBER, Desmond
Protein Structure modeling : Prime (Schrödinger), MOE (CCG), MODELLER
Molecular Docking : Glide (Schrödinger), Induced Fit (Schrödinger), FlexX (SYBYL), GOLD, AutoDock
ADME Prediction : QuikProp (Schrödinger)
Binding Site Identification : SiteMap (Schrödinger), Q-SiteFinder
2D/3D QSAR : CoMFA (SYBYL)
Programming Language : C, C++, Phython, Shell scripting (learner)
Application Software : MS Office package, Chemoffice, Marvin View, Endnote, Mendeley, Sigma Stat, Origin
Operating System : Linux, Windows, Linux server, windows server, maintaining of high-performance cluster
Synthetic Chemistry:
Synthesis of novel drug molecules.
Spectral Analysis - NMR, IR, MS (MALDI), LC-MS.
Separation Techniques - Flash Chromatography, Column Chromatography, Preparative TLC, HPLC.
QM and QM /MM : Gaussian03 package, Gaussian09 package, Jaguar, QSite (Schrödinger)
MD Simulation : AMBER, Desmond
Protein Structure modeling : Prime (Schrödinger), MOE (CCG), MODELLER
Molecular Docking : Glide (Schrödinger), Induced Fit (Schrödinger), FlexX (SYBYL), GOLD, AutoDock
ADME Prediction : QuikProp (Schrödinger)
Binding Site Identification : SiteMap (Schrödinger), Q-SiteFinder
2D/3D QSAR : CoMFA (SYBYL)
Programming Language : C, C++, Phython, Shell scripting (learner)
Application Software : MS Office package, Chemoffice, Marvin View, Endnote, Mendeley, Sigma Stat, Origin
Operating System : Linux, Windows, Linux server, windows server, maintaining of high-performance cluster
Synthetic Chemistry:
Synthesis of novel drug molecules.
Spectral Analysis - NMR, IR, MS (MALDI), LC-MS.
Separation Techniques - Flash Chromatography, Column Chromatography, Preparative TLC, HPLC.