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Soumendranath Bhakat
ORCID
Publication Activity (10 Years)
Years Active: 2017-2022
Publications (10 Years): 3
Top Topics
Dynamic Aspects
Hiv Protease
Molecular Dynamics
Meteorological Data
Top Venues
J. Comput. Aided Mol. Des.
J. Chem. Inf. Model.
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Publications
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Soumendranath Bhakat
,
Pär Söderhjelm
Flap Dynamics in Pepsin-Like Aspartic Proteases: A Computational Perspective Using Plasmepsin-II and BACE-1 as Model Systems.
J. Chem. Inf. Model.
62 (4) (2022)
Soumendranath Bhakat
,
Emil Åberg
,
Pär Söderhjelm
Prediction of binding poses to FXR using multi-targeted docking combined with molecular dynamics and enhanced sampling.
J. Comput. Aided Mol. Des.
32 (1) (2018)
Soumendranath Bhakat
,
Pär Söderhjelm
Resolving the problem of trapped water in binding cavities: prediction of host-guest binding free energies in the SAMPL5 challenge by funnel metadynamics.
J. Comput. Aided Mol. Des.
31 (1) (2017)