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Molecular Diversity
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August 17, 2022
Computational studies indicated the effectiveness of human metabolites against SARS-Cov-2 main protease
Rajarshi Roy, Md Fulbabu Sk, Omprakash Tanwar, et al.
Journal of Computer-Aided Molecular Design
|
February 7, 2024
Deciphering the molecular choreography of Janus kinase 2 inhibition via Gaussian accelerated molecular dynamics simulations: a dynamic odyssey
Md Fulbabu Sk, Sunanda Samanta, Sayan Poddar, et al.
Journal of Computational Chemistry
|
October 3, 2023
Microsecond dynamics of H10N7 influenza neuraminidase reveals the plasticity of loop regions and drug resistance due to the R292K mutation
Md Fulbabu Sk, Sunanda Samanta, Sayan Poddar, et al.
Cell Biochemistry and Biophysics
|
September 22, 2023
Computer-aided Affinity Enhancement of a Cross-reactive Antibody against Dengue Virus Envelope Domain III
Nisha Amarnath Jonniya, Sayan Poddar, Subhasmita Mahapatra, et al.
Journal of Biomolecular Structure & Dynamics
|
May 9, 2023
Molecular dynamics simulations reveal phosphorylation-induced conformational dynamics of the fibroblast growth factor receptor 1 kinase
Subhasmita Mahapatra, Nisha Amarnath Jonniya, Suman Koirala, et al.
The Journal of Physical Chemistry. B
|
April 20, 2022
Phosphorylation-Induced Conformational Dynamics and Inhibition of Janus Kinase 1 by Suppressors of Cytokine Signaling 1
Md Fulbabu Sk, Nisha Amarnath Jonniya, Rajarshi Roy, et al.
ACS Omega
|
February 28, 2022
Unraveling the Molecular Mechanism of Recognition of Selected Next-Generation Antirheumatoid Arthritis Inhibitors by Janus Kinase 1
Md Fulbabu Sk, Nisha Amarnath Jonniya, Rajarshi Roy, et al.
Frontiers in Molecular Biosciences
|
May 19, 2022
Comparative Structural Dynamics of Isoforms of <i>Helicobacter pylori</i> Adhesin BabA Bound to Lewis b Hexasaccharide <i>via</i> Multiple Replica Molecular Dynamics Simulations
Rajarshi Roy, Nisha Amarnath Jonniya, Md Fulbabu Sk, et al.
The Journal of Physical Chemistry. B
|
July 14, 2007
Dispersion terms and analysis of size- and charge dependence in an enhanced Poisson-Boltzmann approach
Parimal Kar, Max Seel, Ulrich H E Hansmann, et al.
Journal of Computational Chemistry
|
May 16, 2007
Systematic study of the boundary composition in Poisson Boltzmann calculations
Parimal Kar, Yanjie Wei, Ulrich H E Hansmann, et al.
Page
of 8
Search research articles
Search
Showing results (31-40 of 77) with videos related to
Sort By:
Page
of 8
Molecular Diversity
|
August 17, 2022
Computational studies indicated the effectiveness of human metabolites against SARS-Cov-2 main protease
Rajarshi Roy, Md Fulbabu Sk, Omprakash Tanwar, et al.
Journal of Computer-Aided Molecular Design
|
February 7, 2024
Deciphering the molecular choreography of Janus kinase 2 inhibition via Gaussian accelerated molecular dynamics simulations: a dynamic odyssey
Md Fulbabu Sk, Sunanda Samanta, Sayan Poddar, et al.
Journal of Computational Chemistry
|
October 3, 2023
Microsecond dynamics of H10N7 influenza neuraminidase reveals the plasticity of loop regions and drug resistance due to the R292K mutation
Md Fulbabu Sk, Sunanda Samanta, Sayan Poddar, et al.
Cell Biochemistry and Biophysics
|
September 22, 2023
Computer-aided Affinity Enhancement of a Cross-reactive Antibody against Dengue Virus Envelope Domain III
Nisha Amarnath Jonniya, Sayan Poddar, Subhasmita Mahapatra, et al.
Journal of Biomolecular Structure & Dynamics
|
May 9, 2023
Molecular dynamics simulations reveal phosphorylation-induced conformational dynamics of the fibroblast growth factor receptor 1 kinase
Subhasmita Mahapatra, Nisha Amarnath Jonniya, Suman Koirala, et al.
The Journal of Physical Chemistry. B
|
April 20, 2022
Phosphorylation-Induced Conformational Dynamics and Inhibition of Janus Kinase 1 by Suppressors of Cytokine Signaling 1
Md Fulbabu Sk, Nisha Amarnath Jonniya, Rajarshi Roy, et al.
ACS Omega
|
February 28, 2022
Unraveling the Molecular Mechanism of Recognition of Selected Next-Generation Antirheumatoid Arthritis Inhibitors by Janus Kinase 1
Md Fulbabu Sk, Nisha Amarnath Jonniya, Rajarshi Roy, et al.
Frontiers in Molecular Biosciences
|
May 19, 2022
Comparative Structural Dynamics of Isoforms of <i>Helicobacter pylori</i> Adhesin BabA Bound to Lewis b Hexasaccharide <i>via</i> Multiple Replica Molecular Dynamics Simulations
Rajarshi Roy, Nisha Amarnath Jonniya, Md Fulbabu Sk, et al.
The Journal of Physical Chemistry. B
|
July 14, 2007
Dispersion terms and analysis of size- and charge dependence in an enhanced Poisson-Boltzmann approach
Parimal Kar, Max Seel, Ulrich H E Hansmann, et al.
Journal of Computational Chemistry
|
May 16, 2007
Systematic study of the boundary composition in Poisson Boltzmann calculations
Parimal Kar, Yanjie Wei, Ulrich H E Hansmann, et al.
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of 8