Kshatresh Dutta Dubey

Kshatresh Dutta Dubey

Shiv Nadar University
Verifierad e-postadress på snu.edu.in
Citerat av 1430
QM/MM Calculations MD Simulations Enzyme Mechanism and Evolution Chemical Kinetics
Kaustubh Joshi

Kaustubh Joshi

Institute of Chemical Technology, Mumbai
Verifierad e-postadress på ictmumbai.edu.in
Citerat av 254
Computational Chemistry QM/MM calculations Molecular Dynamics Molecular Docking Drug Design
Sruthi Murlidaran

Sruthi Murlidaran

Qsimulate Technologies Inc.
Verifierad e-postadress på qsimulate.com
Citerat av 247
Molecular dynamics simulations Free energy perturbation Parameterization of Drug molecules QM/MM calculations
Levente M. Mihalovits

Levente M. Mihalovits

Researcher, Medicinal Chemistry Research Group, Budapest RCNS
Verifierad e-postadress på ttk.hu
Citerat av 148
Computational chemistry covalent inhibition molecular dynamics QM/MM calculations
Laura Baliulyte

Laura Baliulyte

Vilnius University
Verifierad e-postadress på ff.vu.lt
Citerat av 58
aggregates molecular self-assembly QM/MM calculations
Vandana Kardam

Vandana Kardam

Shiv Nadar University
Verifierad e-postadress på snu.edu.in
Citerat av 31
Docking studies MD Simulations Free Energy Calculations DFT studies QM/MM calculations