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Journal of Chemical Theory and Computation
|
October 7, 2025
Python Library for Monte Carlo Simulations with Ab Initio and Machine-Learned Interatomic Potentials
Woodrow N Wilson, Vivek S Bharadwaj, Neeraj Rai
Journal of the American Chemical Society
|
July 20, 2013
Insights into the glycyl radical enzyme active site of benzylsuccinate synthase: a computational study
Vivek S Bharadwaj, Anthony M Dean, C Mark Maupin
Frontiers in Molecular Biosciences
|
February 10, 2022
Towards Elucidating Structure-Spectra Relationships in Rhamnogalacturonan II: Computational Protocols for Accurate <sup>13</sup>C and <sup>1</sup>H Shifts for Apiose and Its Borate Esters
Vivek S Bharadwaj, Luke P Westawker, Michael F Crowley
Scientific Reports
|
August 29, 2018
Different Behaviors of a Substrate in P450 Decarboxylase and Hydroxylase Reveal Reactivity-Enabling Actors
Vivek S Bharadwaj, Seonah Kim, Michael T Guarnieri, et al.
Frontiers in Microbiology
|
October 17, 2022
The Contribution of Proton-Donor pKa on Reactivity Profiles of [FeFe]-hydrogenases
Effie C Kisgeropoulos, Vivek S Bharadwaj, David W Mulder, et al.
Physical Chemistry Chemical Physics : PCCP
|
March 26, 2015
Elucidating the conformational energetics of glucose and cellobiose in ionic liquids
Vivek S Bharadwaj, Timothy C Schutt, Timothy C Ashurst, et al.
Physical Chemistry Chemical Physics : PCCP
|
June 11, 2015
The impact of active site protonation on substrate ring conformation in Melanocarpus albomyces cellobiohydrolase Cel7B
Timothy C Schutt, Vivek S Bharadwaj, David M Granum, et al.
Journal of Computational Chemistry
|
December 31, 2025
Molecular Insights Into the Ionic Assembly of Poly-Galacturonic Acid Oligomers-Impact of Charge, Ionic Radius, and Polymer Functionalization
Lintao Bu, Michael F Crowley, Deepak Sharma, et al.
The Journal of Physical Chemistry. B
|
October 28, 2020
Mechanism and Reaction Energy Landscape for Apiose Cross-Linking by Boric Acid in Rhamnogalacturonan II
Vivek S Bharadwaj, Michael F Crowley, Maria J Peña, et al.
Carbohydrate Polymers
|
June 12, 2026
Oxidative deboronation of boronic acids by hydrogen peroxide in planta generates borate for cross-linking of rhamnogalacturonan II
Deepak Sharma, Kristen Thorne, Vivek S Bharadwaj, et al.
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Search research articles
Search
Showing results (1-10 of 27) with videos related to
Sort By:
Page
of 3
Journal of Chemical Theory and Computation
|
October 7, 2025
Python Library for Monte Carlo Simulations with Ab Initio and Machine-Learned Interatomic Potentials
Woodrow N Wilson, Vivek S Bharadwaj, Neeraj Rai
Journal of the American Chemical Society
|
July 20, 2013
Insights into the glycyl radical enzyme active site of benzylsuccinate synthase: a computational study
Vivek S Bharadwaj, Anthony M Dean, C Mark Maupin
Frontiers in Molecular Biosciences
|
February 10, 2022
Towards Elucidating Structure-Spectra Relationships in Rhamnogalacturonan II: Computational Protocols for Accurate <sup>13</sup>C and <sup>1</sup>H Shifts for Apiose and Its Borate Esters
Vivek S Bharadwaj, Luke P Westawker, Michael F Crowley
Scientific Reports
|
August 29, 2018
Different Behaviors of a Substrate in P450 Decarboxylase and Hydroxylase Reveal Reactivity-Enabling Actors
Vivek S Bharadwaj, Seonah Kim, Michael T Guarnieri, et al.
Frontiers in Microbiology
|
October 17, 2022
The Contribution of Proton-Donor pKa on Reactivity Profiles of [FeFe]-hydrogenases
Effie C Kisgeropoulos, Vivek S Bharadwaj, David W Mulder, et al.
Physical Chemistry Chemical Physics : PCCP
|
March 26, 2015
Elucidating the conformational energetics of glucose and cellobiose in ionic liquids
Vivek S Bharadwaj, Timothy C Schutt, Timothy C Ashurst, et al.
Physical Chemistry Chemical Physics : PCCP
|
June 11, 2015
The impact of active site protonation on substrate ring conformation in Melanocarpus albomyces cellobiohydrolase Cel7B
Timothy C Schutt, Vivek S Bharadwaj, David M Granum, et al.
Journal of Computational Chemistry
|
December 31, 2025
Molecular Insights Into the Ionic Assembly of Poly-Galacturonic Acid Oligomers-Impact of Charge, Ionic Radius, and Polymer Functionalization
Lintao Bu, Michael F Crowley, Deepak Sharma, et al.
The Journal of Physical Chemistry. B
|
October 28, 2020
Mechanism and Reaction Energy Landscape for Apiose Cross-Linking by Boric Acid in Rhamnogalacturonan II
Vivek S Bharadwaj, Michael F Crowley, Maria J Peña, et al.
Carbohydrate Polymers
|
June 12, 2026
Oxidative deboronation of boronic acids by hydrogen peroxide in planta generates borate for cross-linking of rhamnogalacturonan II
Deepak Sharma, Kristen Thorne, Vivek S Bharadwaj, et al.
Page
of 3