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Dheeraj Kumar Sarkar

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Journal of Chemical Theory and Computation|July 9, 2024
Incorporating Prior Knowledge in the Seeds of Adaptive Sampling Molecular Dynamics Simulations of Ligand Transport in Enzymes with Buried Active SitesDheeraj Kumar Sarkar, Bartlomiej Surpeta, Jan Brezovsky
The Journal of Physical Chemistry. B|March 26, 2026
Integrating Molecular Dynamics and Deep Learning to Elucidate Conformational Plasticity Underlying the Reduced Activity of Glycocin FDheeraj Kumar Sarkar, Subinoy Adhikari, Avadhesha Surolia
Proteins|July 19, 2023
Atomic visualization of flipped-back conformations of high mannose glycans interacting with cargo lectins: An MD simulation perspectiveNisha Grandhi Jayaprakash, Dheeraj Kumar Sarkar, Avadhesha Surolia
The Journal of Physical Chemistry. B|September 13, 2024
Understanding the Effect of Ionic Liquid-Mediated Solvent Engineering on the Kinetics and Thermodynamic Stability of Phenylalanine Ammonia-LyasePranav Bharadwaj, Avishak Barua, Meena Bisht, et al.
ACS Sustainable Chemistry & Engineering|April 3, 2026
Stoichiometrically Engineered Hydrated Ionic Liquids Enabling Reinforcement of Enzyme Cascade with Improved Thermodynamic StabilitySagar Biswas, Dheeraj Kumar Sarkar, Aaftaab Sethi, et al.
ACS Nano|November 26, 2025
Controlling Nanopore Dynamics via Loop Stapling and Unstapling for Tunable Substrate TransportArya Krishna, Neethu Puthumadathil, Dheeraj Kumar Sarkar, et al.
The Journal of Physical Chemistry. B|December 21, 2023
Suitability of Adenosine Derivatives in Improving the Activity and Stability of Cytochrome c under Stress: Insights into the Effect of Phosphate GroupsPranav Bharadwaj, Sachin M Shet, Meena Bisht, et al.
Bioinformatics (Oxford, England)|December 31, 2021
TransportTools: a library for high-throughput analyses of internal voids in biomolecules and ligand transport through themJan Brezovsky, Aravind Selvaram Thirunavukarasu, Bartlomiej Surpeta, et al.
Pageof 1

Showing results (1-10 of 8) with videos related to

Sort By:
Pageof 1
Journal of Chemical Theory and Computation|July 9, 2024
Incorporating Prior Knowledge in the Seeds of Adaptive Sampling Molecular Dynamics Simulations of Ligand Transport in Enzymes with Buried Active SitesDheeraj Kumar Sarkar, Bartlomiej Surpeta, Jan Brezovsky
The Journal of Physical Chemistry. B|March 26, 2026
Integrating Molecular Dynamics and Deep Learning to Elucidate Conformational Plasticity Underlying the Reduced Activity of Glycocin FDheeraj Kumar Sarkar, Subinoy Adhikari, Avadhesha Surolia
Proteins|July 19, 2023
Atomic visualization of flipped-back conformations of high mannose glycans interacting with cargo lectins: An MD simulation perspectiveNisha Grandhi Jayaprakash, Dheeraj Kumar Sarkar, Avadhesha Surolia
The Journal of Physical Chemistry. B|September 13, 2024
Understanding the Effect of Ionic Liquid-Mediated Solvent Engineering on the Kinetics and Thermodynamic Stability of Phenylalanine Ammonia-LyasePranav Bharadwaj, Avishak Barua, Meena Bisht, et al.
ACS Sustainable Chemistry & Engineering|April 3, 2026
Stoichiometrically Engineered Hydrated Ionic Liquids Enabling Reinforcement of Enzyme Cascade with Improved Thermodynamic StabilitySagar Biswas, Dheeraj Kumar Sarkar, Aaftaab Sethi, et al.
ACS Nano|November 26, 2025
Controlling Nanopore Dynamics via Loop Stapling and Unstapling for Tunable Substrate TransportArya Krishna, Neethu Puthumadathil, Dheeraj Kumar Sarkar, et al.
The Journal of Physical Chemistry. B|December 21, 2023
Suitability of Adenosine Derivatives in Improving the Activity and Stability of Cytochrome c under Stress: Insights into the Effect of Phosphate GroupsPranav Bharadwaj, Sachin M Shet, Meena Bisht, et al.
Bioinformatics (Oxford, England)|December 31, 2021
TransportTools: a library for high-throughput analyses of internal voids in biomolecules and ligand transport through themJan Brezovsky, Aravind Selvaram Thirunavukarasu, Bartlomiej Surpeta, et al.
Pageof 1