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Chemistry, an Asian Journal
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June 20, 2022
Combined MD and QM/MM Calculations Reveal Allostery-Driven Promiscuity in Dipeptide Epimerases of Enolase Family
Ankita Tripathi, Kshatresh Dutta Dubey
Organic & Biomolecular Chemistry
|
December 2, 2021
Simulations reveal the key role of Arg15 in the promiscuous activity in the HisA enzyme
Kshatresh Dutta Dubey, Warispreet Singh
Organic & Biomolecular Chemistry
|
May 22, 2023
A single site mutation can induce functional promiscuity in homoserine kinase
Ankita Tripathi, Kshatresh Dutta Dubey
Advances in Protein Chemistry and Structural Biology
|
July 3, 2024
The mechanistic insights into different aspects of promiscuity in metalloenzymes
Ankita Tripathi, Kshatresh Dutta Dubey
Accounts of Chemical Research
|
January 12, 2019
Cytochrome P450-The Wonderful Nanomachine Revealed through Dynamic Simulations of the Catalytic Cycle
Kshatresh Dutta Dubey, Sason Shaik
Journal of the American Chemical Society
|
December 27, 2017
Choreography of the Reductase and P450<sub>BM3</sub> Domains Toward Electron Transfer Is Instigated by the Substrate
Kshatresh Dutta Dubey, Sason Shaik
Inorganic Chemistry
|
October 27, 2023
Tyr 118-Mediated Electron Transfer is Key to the Chlorite Decomposition in Heme-Dependent Chlorite Dismutase
Vandana Kardam, Kshatresh Dutta Dubey
Journal of Biological Physics
|
January 3, 2012
Binding free energy calculation with QM/MM hybrid methods for Abl-Kinase inhibitor
Kshatresh Dutta Dubey, Rajendra Prasad Ojha
Journal of Molecular Modeling
|
August 4, 2011
Conformational flexibility, binding energy, role of salt bridge and alanine-mutagenesis for c-Abl kinase complex
Kshatresh Dutta Dubey, Rajendra Prasad Ojha
Inorganic Chemistry
|
September 23, 2024
Understanding the Functional Dynamics of the TokK Enzyme in Carbapenem Biosynthesis via MD Simulations and QM/MM Calculations
Shakir Ali Siddiqui, Kshatresh Dutta Dubey
Page
of 7
Search research articles
Search
Showing results (1-10 of 70) with videos related to
Sort By:
Page
of 7
Chemistry, an Asian Journal
|
June 20, 2022
Combined MD and QM/MM Calculations Reveal Allostery-Driven Promiscuity in Dipeptide Epimerases of Enolase Family
Ankita Tripathi, Kshatresh Dutta Dubey
Organic & Biomolecular Chemistry
|
December 2, 2021
Simulations reveal the key role of Arg15 in the promiscuous activity in the HisA enzyme
Kshatresh Dutta Dubey, Warispreet Singh
Organic & Biomolecular Chemistry
|
May 22, 2023
A single site mutation can induce functional promiscuity in homoserine kinase
Ankita Tripathi, Kshatresh Dutta Dubey
Advances in Protein Chemistry and Structural Biology
|
July 3, 2024
The mechanistic insights into different aspects of promiscuity in metalloenzymes
Ankita Tripathi, Kshatresh Dutta Dubey
Accounts of Chemical Research
|
January 12, 2019
Cytochrome P450-The Wonderful Nanomachine Revealed through Dynamic Simulations of the Catalytic Cycle
Kshatresh Dutta Dubey, Sason Shaik
Journal of the American Chemical Society
|
December 27, 2017
Choreography of the Reductase and P450<sub>BM3</sub> Domains Toward Electron Transfer Is Instigated by the Substrate
Kshatresh Dutta Dubey, Sason Shaik
Inorganic Chemistry
|
October 27, 2023
Tyr 118-Mediated Electron Transfer is Key to the Chlorite Decomposition in Heme-Dependent Chlorite Dismutase
Vandana Kardam, Kshatresh Dutta Dubey
Journal of Biological Physics
|
January 3, 2012
Binding free energy calculation with QM/MM hybrid methods for Abl-Kinase inhibitor
Kshatresh Dutta Dubey, Rajendra Prasad Ojha
Journal of Molecular Modeling
|
August 4, 2011
Conformational flexibility, binding energy, role of salt bridge and alanine-mutagenesis for c-Abl kinase complex
Kshatresh Dutta Dubey, Rajendra Prasad Ojha
Inorganic Chemistry
|
September 23, 2024
Understanding the Functional Dynamics of the TokK Enzyme in Carbapenem Biosynthesis via MD Simulations and QM/MM Calculations
Shakir Ali Siddiqui, Kshatresh Dutta Dubey
Page
of 7