Soumendranath Bhakat

Accelerating Cryptic Pocket Discovery Using AlphaFold

Artur Meller, Soumendranath Bhakat, Shahlo Solieva et al. · Journal of Chemical Theory and Computation · 2023 · 129 citations · Full text

Life Sciences, Biochemistry, Molecular Biology +14

An integrated molecular dynamics, principal component analysis and residue interaction network approach reveals the impact of M184V mutation on HIV reverse transcriptase resistance to lamivudine

Soumendranath Bhakat, Alberto J. M. Martín, Mahmoud E. S. Soliman · Molecular BioSystems · 2014 · 60 citations

Life Sciences, Molecular Biology, Pharmacology +17

Monoamine oxidase inhibitory activity of 2-aryl-4H-chromen-4-ones

Vishnu Nayak Badavath, Samiye Ciftci-Yabanoglu, Soumendranath Bhakat et al. · Bioorganic Chemistry · 2014 · 48 citations · Full text

Life Sciences, Medicinal Chemistry, Pharmacology +12

Investigation of flap flexibility of β-secretase using molecular dynamic simulations

Hezekiel M. Kumalo, Soumendranath Bhakat, Mahmoud E. S. Soliman · Journal of Biomolecular Structure and Dynamics · 2015 · 42 citations · Full text

Life Sciences, Biochemistry, Molecular Biology +16

Flap dynamics of plasmepsin proteases: insight into proposed parameters and molecular dynamics

Wilson Karubiu, Soumendranath Bhakat, Lara McGillewie et al. · Molecular BioSystems · 2015 · 38 citations

Life Sciences, Biochemistry, Biophysics +10