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Journal of Chemical Theory and Computation
|
November 7, 2024
Advances and Challenges in Milestoning Simulations for Drug-Target Kinetics
Anupam Anand Ojha, Lane W Votapka, Rommie E Amaro
Chemical Science
|
November 29, 2023
QMrebind: incorporating quantum mechanical force field reparameterization at the ligand binding site for improved drug-target kinetics through milestoning simulations
Anupam Anand Ojha, Lane William Votapka, Rommie Elizabeth Amaro
ACS Omega
|
August 29, 2019
Water-Stable Nanoscale Zirconium-Based Metal-Organic Frameworks for the Effective Removal of Glyphosate from Aqueous Media
Asha Pankajakshan, Mekhola Sinha, Anupam Anand Ojha, et al.
Inorganic Chemistry
|
May 31, 2017
"Turn-on" Fluorescence Sensing and Discriminative Detection of Aliphatic Amines Using a 5-Fold-Interpenetrated Coordination Polymer
Prabu Mani, Anupam Anand Ojha, Vennapusa Sivaranjana Reddy, et al.
Journal of Chemical Information and Modeling
|
April 6, 2023
Selectivity and Ranking of Tight-Binding JAK-STAT Inhibitors Using Markovian Milestoning with Voronoi Tessellations
Anupam Anand Ojha, Ambuj Srivastava, Lane William Votapka, et al.
The Journal of Physical Chemistry Letters
|
October 11, 2024
Prediction of Threonine-Tyrosine Kinase Receptor-Ligand Unbinding Kinetics with Multiscale Milestoning and Metadynamics
Lane W Votapka, Anupam Anand Ojha, Naoya Asada, et al.
Journal of Chemical Theory and Computation
|
January 31, 2023
DeepWEST: Deep Learning of Kinetic Models with the Weighted Ensemble Simulation Toolkit for Enhanced Sampling
Anupam Anand Ojha, Saumya Thakur, Surl-Hee Ahn, et al.
Pharmaceutics
|
May 25, 2024
Distinguishing Molecular Properties of OAT, OATP, and MRP Drug Substrates by Machine Learning
Anisha K Nigam, Jeremiah D Momper, Anupam Anand Ojha, et al.
Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
|
July 9, 2019
Paper based field deployable sensor for naked eye monitoring of copper (II) ions; elucidation of binding mechanism by DFT studies
Halali V Vishaka, Manav Saxena, H R Chandan, et al.
Acta Crystallographica. Section D, Structural Biology
|
February 28, 2025
The ManifoldEM method for cryo-EM: a step-by-step breakdown accompanied by a modern Python implementation
Anupam Anand Ojha, Robert Blackwell, Eduardo R Cruz-Chú, et al.
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Search research articles
Search
Showing results (1-10 of 10) with videos related to
Sort By:
Page
of 1
Journal of Chemical Theory and Computation
|
November 7, 2024
Advances and Challenges in Milestoning Simulations for Drug-Target Kinetics
Anupam Anand Ojha, Lane W Votapka, Rommie E Amaro
Chemical Science
|
November 29, 2023
QMrebind: incorporating quantum mechanical force field reparameterization at the ligand binding site for improved drug-target kinetics through milestoning simulations
Anupam Anand Ojha, Lane William Votapka, Rommie Elizabeth Amaro
ACS Omega
|
August 29, 2019
Water-Stable Nanoscale Zirconium-Based Metal-Organic Frameworks for the Effective Removal of Glyphosate from Aqueous Media
Asha Pankajakshan, Mekhola Sinha, Anupam Anand Ojha, et al.
Inorganic Chemistry
|
May 31, 2017
"Turn-on" Fluorescence Sensing and Discriminative Detection of Aliphatic Amines Using a 5-Fold-Interpenetrated Coordination Polymer
Prabu Mani, Anupam Anand Ojha, Vennapusa Sivaranjana Reddy, et al.
Journal of Chemical Information and Modeling
|
April 6, 2023
Selectivity and Ranking of Tight-Binding JAK-STAT Inhibitors Using Markovian Milestoning with Voronoi Tessellations
Anupam Anand Ojha, Ambuj Srivastava, Lane William Votapka, et al.
The Journal of Physical Chemistry Letters
|
October 11, 2024
Prediction of Threonine-Tyrosine Kinase Receptor-Ligand Unbinding Kinetics with Multiscale Milestoning and Metadynamics
Lane W Votapka, Anupam Anand Ojha, Naoya Asada, et al.
Journal of Chemical Theory and Computation
|
January 31, 2023
DeepWEST: Deep Learning of Kinetic Models with the Weighted Ensemble Simulation Toolkit for Enhanced Sampling
Anupam Anand Ojha, Saumya Thakur, Surl-Hee Ahn, et al.
Pharmaceutics
|
May 25, 2024
Distinguishing Molecular Properties of OAT, OATP, and MRP Drug Substrates by Machine Learning
Anisha K Nigam, Jeremiah D Momper, Anupam Anand Ojha, et al.
Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
|
July 9, 2019
Paper based field deployable sensor for naked eye monitoring of copper (II) ions; elucidation of binding mechanism by DFT studies
Halali V Vishaka, Manav Saxena, H R Chandan, et al.
Acta Crystallographica. Section D, Structural Biology
|
February 28, 2025
The ManifoldEM method for cryo-EM: a step-by-step breakdown accompanied by a modern Python implementation
Anupam Anand Ojha, Robert Blackwell, Eduardo R Cruz-Chú, et al.
Page
of 1