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Soumendranath Bhakat

Showing results (1-10 of 28) with videos related to

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Molecular Biosystems|June 17, 2015
Effect of T68A/N126Y mutations on the conformational and ligand binding landscape of Coxsackievirus B3 3C proteaseSoumendranath Bhakat
RSC Advances|April 15, 2022
Pepsin-like aspartic proteases (PAPs) as model systems for combining biomolecular simulation with biophysical experimentsSoumendranath Bhakat
RSC Advances|October 6, 2022
Collective variable discovery in the age of machine learning: reality, hype and everything in betweenSoumendranath Bhakat
Journal of Chemical Information and Modeling|February 9, 2022
Flap Dynamics in Pepsin-Like Aspartic Proteases: A Computational Perspective Using Plasmepsin-II and BACE-1 as Model SystemsSoumendranath Bhakat, Pär Söderhjelm
European Journal of Medicinal Chemistry|April 2, 2015
New paradigm of an old target: an update on structural biology and current progress in drug design towards plasmepsin IINirnoy Dan, Soumendranath Bhakat
Journal of Computer-Aided Molecular Design|August 31, 2016
Resolving the problem of trapped water in binding cavities: prediction of host-guest binding free energies in the SAMPL5 challenge by funnel metadynamicsSoumendranath Bhakat, Pär Söderhjelm
Journal of Chemical Information and Modeling|June 10, 2026
Accelerated Sampling of Protein Dynamics Using BioEmu-Augmented Molecular SimulationSoumendranath Bhakat, Eva-Maria Strauch
Journal of Computer-Aided Molecular Design|October 21, 2017
Prediction of binding poses to FXR using multi-targeted docking combined with molecular dynamics and enhanced samplingSoumendranath Bhakat, Emil Åberg, Pär Söderhjelm
Journal of Natural Medicines|April 30, 2015
Chikungunya virus (CHIKV) inhibitors from natural sources: a medicinal chemistry perspectiveSoumendranath Bhakat, Mahmoud E S Soliman
Chemical Biology & Drug Design|May 12, 2015
Heat-shock protein 90 (Hsp90) as anticancer target for drug discovery: an ample computational perspectiveHezekiel M Kumalo, Soumendranath Bhakat, Mahmoud E Soliman
Pageof 3

Showing results (1-10 of 28) with videos related to

Sort By:
Pageof 3
Molecular Biosystems|June 17, 2015
Effect of T68A/N126Y mutations on the conformational and ligand binding landscape of Coxsackievirus B3 3C proteaseSoumendranath Bhakat
RSC Advances|April 15, 2022
Pepsin-like aspartic proteases (PAPs) as model systems for combining biomolecular simulation with biophysical experimentsSoumendranath Bhakat
RSC Advances|October 6, 2022
Collective variable discovery in the age of machine learning: reality, hype and everything in betweenSoumendranath Bhakat
Journal of Chemical Information and Modeling|February 9, 2022
Flap Dynamics in Pepsin-Like Aspartic Proteases: A Computational Perspective Using Plasmepsin-II and BACE-1 as Model SystemsSoumendranath Bhakat, Pär Söderhjelm
European Journal of Medicinal Chemistry|April 2, 2015
New paradigm of an old target: an update on structural biology and current progress in drug design towards plasmepsin IINirnoy Dan, Soumendranath Bhakat
Journal of Computer-Aided Molecular Design|August 31, 2016
Resolving the problem of trapped water in binding cavities: prediction of host-guest binding free energies in the SAMPL5 challenge by funnel metadynamicsSoumendranath Bhakat, Pär Söderhjelm
Journal of Chemical Information and Modeling|June 10, 2026
Accelerated Sampling of Protein Dynamics Using BioEmu-Augmented Molecular SimulationSoumendranath Bhakat, Eva-Maria Strauch
Journal of Computer-Aided Molecular Design|October 21, 2017
Prediction of binding poses to FXR using multi-targeted docking combined with molecular dynamics and enhanced samplingSoumendranath Bhakat, Emil Åberg, Pär Söderhjelm
Journal of Natural Medicines|April 30, 2015
Chikungunya virus (CHIKV) inhibitors from natural sources: a medicinal chemistry perspectiveSoumendranath Bhakat, Mahmoud E S Soliman
Chemical Biology & Drug Design|May 12, 2015
Heat-shock protein 90 (Hsp90) as anticancer target for drug discovery: an ample computational perspectiveHezekiel M Kumalo, Soumendranath Bhakat, Mahmoud E Soliman
Pageof 3