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Physical Chemistry Chemical Physics : PCCP
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September 11, 2024
Study of the solvent-dependent crystal shape of theophylline using constant chemical potential molecular dynamics simulations
Neha, Tarak Karmakar
The Journal of Physical Chemistry Letters
|
September 23, 2024
Unveiling the Role of Solvent in Solution Phase Chemical Reactions using Deep Potential-Based Enhanced Sampling Simulations
Anmol, Tarak Karmakar
Chemical Science
|
June 6, 2025
Modeling catalytic reaction on ligand-protected metal nanoclusters
Vikas Tiwari, Tarak Karmakar
Journal of Chemical Theory and Computation
|
July 23, 2024
Graph Neural Networks for Predicting Solubility in Diverse Solvents Using MolMerger Incorporating Solute-Solvent Interactions
Vansh Ramani, Tarak Karmakar
The Journal of Physical Chemistry Letters
|
July 18, 2023
Understanding Molecular Aggregation of Ligand-Protected Atomically-Precise Metal Nanoclusters
Vikas Tiwari, Tarak Karmakar
The Journal of Physical Chemistry Letters
|
March 25, 2025
Unveiling Interactions of a Peptide-Bound Monolayer-Protected Metal Nanocluster with a Lipid Bilayer
Soumya Mondal, Tarak Karmakar
Biophysical Chemistry
|
April 19, 2024
Insights into the mechanism of peptide fibril growth on gold surface
Soumya Mondal, Tarak Karmakar
The Journal of Physical Chemistry. B
|
November 3, 2016
Molecular Dynamics and Free Energy Simulations of Phenylacetate and CO<sub>2</sub> Release from AMDase and Its G74C/C188S Mutant: A Possible Rationale for the Reduced Activity of the Latter
Tarak Karmakar, Sundaram Balasubramanian
Nano Letters
|
March 31, 2025
Atomistic Details of Nanocluster Formation from Machine-Learned-Potential-Based Simulations
Vikas Tiwari, Tarak Karmakar
Journal of Chemical Information and Modeling
|
January 8, 2025
Enhanced Sampling Simulations of RNA-Peptide Binding Using Deep Learning Collective Variables
Nisha Kumari, Sonam, Tarak Karmakar
Page
of 7
Search research articles
Search
Showing results (1-10 of 61) with videos related to
Sort By:
Page
of 7
Physical Chemistry Chemical Physics : PCCP
|
September 11, 2024
Study of the solvent-dependent crystal shape of theophylline using constant chemical potential molecular dynamics simulations
Neha, Tarak Karmakar
The Journal of Physical Chemistry Letters
|
September 23, 2024
Unveiling the Role of Solvent in Solution Phase Chemical Reactions using Deep Potential-Based Enhanced Sampling Simulations
Anmol, Tarak Karmakar
Chemical Science
|
June 6, 2025
Modeling catalytic reaction on ligand-protected metal nanoclusters
Vikas Tiwari, Tarak Karmakar
Journal of Chemical Theory and Computation
|
July 23, 2024
Graph Neural Networks for Predicting Solubility in Diverse Solvents Using MolMerger Incorporating Solute-Solvent Interactions
Vansh Ramani, Tarak Karmakar
The Journal of Physical Chemistry Letters
|
July 18, 2023
Understanding Molecular Aggregation of Ligand-Protected Atomically-Precise Metal Nanoclusters
Vikas Tiwari, Tarak Karmakar
The Journal of Physical Chemistry Letters
|
March 25, 2025
Unveiling Interactions of a Peptide-Bound Monolayer-Protected Metal Nanocluster with a Lipid Bilayer
Soumya Mondal, Tarak Karmakar
Biophysical Chemistry
|
April 19, 2024
Insights into the mechanism of peptide fibril growth on gold surface
Soumya Mondal, Tarak Karmakar
The Journal of Physical Chemistry. B
|
November 3, 2016
Molecular Dynamics and Free Energy Simulations of Phenylacetate and CO<sub>2</sub> Release from AMDase and Its G74C/C188S Mutant: A Possible Rationale for the Reduced Activity of the Latter
Tarak Karmakar, Sundaram Balasubramanian
Nano Letters
|
March 31, 2025
Atomistic Details of Nanocluster Formation from Machine-Learned-Potential-Based Simulations
Vikas Tiwari, Tarak Karmakar
Journal of Chemical Information and Modeling
|
January 8, 2025
Enhanced Sampling Simulations of RNA-Peptide Binding Using Deep Learning Collective Variables
Nisha Kumari, Sonam, Tarak Karmakar
Page
of 7