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Journal of Chemical Information and Modeling
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August 11, 2022
Functional Loop Dynamics and Characterization of the Inactive State of the NS2B-NS3 Dengue Protease due to Allosteric Inhibitor Binding
Nisha Amarnath Jonniya, Parimal Kar
The Journal of Physical Chemistry. B
|
April 26, 2013
Importance of polar solvation and configurational entropy for design of antiretroviral drugs targeting HIV-1 protease
Parimal Kar, Reinhard Lipowsky, Volker Knecht
The Journal of Physical Chemistry. B
|
May 21, 2011
Importance of polar solvation for cross-reactivity of antibody and its variants with steroids
Parimal Kar, Reinhard Lipowsky, Volker Knecht
ACS Omega
|
March 10, 2020
Investigating Conformational Dynamics of Lewis Y Oligosaccharides and Elucidating Blood Group Dependency of Cholera Using Molecular Dynamics
Rajarshi Roy, Biplab Ghosh, Parimal Kar
Carbohydrate Research
|
October 13, 2022
Comparison of the conformational dynamics of an N-glycan in implicit and explicit solvents
Rajarshi Roy, Sayan Poddar, Parimal Kar
Journal of Biomolecular Structure & Dynamics
|
February 23, 2024
The conformational dynamics of Hepatitis C Virus E2 glycoprotein with the increasing number of <i>N</i>-glycosylation unraveled by molecular dynamics simulations
Sayan Poddar, Rajarshi Roy, Parimal Kar
Journal of Biomolecular Structure & Dynamics
|
November 1, 2023
Elucidating the conformational dynamics of histo-blood group antigens and their interactions with the rotavirus spike protein through computational lens
Sayan Poddar, Rajarshi Roy, Parimal Kar
The Journal of Physical Chemistry. B
|
August 9, 2021
Molecular Mechanism of Inhibiting WNK Binding to OSR1 by Targeting the Allosteric Pocket of the OSR1-CCT Domain with Potential Antihypertensive Inhibitors: An <i>In Silico</i> Study
Nisha Amarnath Jonniya, Jinwei Zhang, Parimal Kar
Journal of Biomolecular Structure & Dynamics
|
February 1, 2020
Exploring the potency of currently used drugs against HIV-1 protease of subtype D variant by using multiscale simulations
Md Fulbabu Sk, Rajarshi Roy, Parimal Kar
The Journal of Physical Chemistry. B
|
May 20, 2022
Effect of Sulfation on the Conformational Dynamics of Dermatan Sulfate Glycosaminoglycan: A Gaussian Accelerated Molecular Dynamics Study
Rajarshi Roy, Nisha Amarnath Jonniya, Parimal Kar
Page
of 8
Search research articles
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Showing results (11-20 of 77) with videos related to
Sort By:
Page
of 8
Journal of Chemical Information and Modeling
|
August 11, 2022
Functional Loop Dynamics and Characterization of the Inactive State of the NS2B-NS3 Dengue Protease due to Allosteric Inhibitor Binding
Nisha Amarnath Jonniya, Parimal Kar
The Journal of Physical Chemistry. B
|
April 26, 2013
Importance of polar solvation and configurational entropy for design of antiretroviral drugs targeting HIV-1 protease
Parimal Kar, Reinhard Lipowsky, Volker Knecht
The Journal of Physical Chemistry. B
|
May 21, 2011
Importance of polar solvation for cross-reactivity of antibody and its variants with steroids
Parimal Kar, Reinhard Lipowsky, Volker Knecht
ACS Omega
|
March 10, 2020
Investigating Conformational Dynamics of Lewis Y Oligosaccharides and Elucidating Blood Group Dependency of Cholera Using Molecular Dynamics
Rajarshi Roy, Biplab Ghosh, Parimal Kar
Carbohydrate Research
|
October 13, 2022
Comparison of the conformational dynamics of an N-glycan in implicit and explicit solvents
Rajarshi Roy, Sayan Poddar, Parimal Kar
Journal of Biomolecular Structure & Dynamics
|
February 23, 2024
The conformational dynamics of Hepatitis C Virus E2 glycoprotein with the increasing number of <i>N</i>-glycosylation unraveled by molecular dynamics simulations
Sayan Poddar, Rajarshi Roy, Parimal Kar
Journal of Biomolecular Structure & Dynamics
|
November 1, 2023
Elucidating the conformational dynamics of histo-blood group antigens and their interactions with the rotavirus spike protein through computational lens
Sayan Poddar, Rajarshi Roy, Parimal Kar
The Journal of Physical Chemistry. B
|
August 9, 2021
Molecular Mechanism of Inhibiting WNK Binding to OSR1 by Targeting the Allosteric Pocket of the OSR1-CCT Domain with Potential Antihypertensive Inhibitors: An <i>In Silico</i> Study
Nisha Amarnath Jonniya, Jinwei Zhang, Parimal Kar
Journal of Biomolecular Structure & Dynamics
|
February 1, 2020
Exploring the potency of currently used drugs against HIV-1 protease of subtype D variant by using multiscale simulations
Md Fulbabu Sk, Rajarshi Roy, Parimal Kar
The Journal of Physical Chemistry. B
|
May 20, 2022
Effect of Sulfation on the Conformational Dynamics of Dermatan Sulfate Glycosaminoglycan: A Gaussian Accelerated Molecular Dynamics Study
Rajarshi Roy, Nisha Amarnath Jonniya, Parimal Kar
Page
of 8