Anupam Anand Ojha (Anupam A Ojha)

Scopus Author ID ORCID

Publication Activity (10 Years)

Years Active: 2020-2024
Publications (10 Years): 11

Top Venues

Journal of chemical theory and computation

Pharmaceutics

Journal of chemical information and modeling

Chemical science

University of California San Diego

Indian Institute of Science Education Research Thiruvananthapuram (MSC)

This page only lists publications with an associated author ORCID identifier.

Affiliation History

University of California San Diego

United States

Doctoral Student :: Chemistry and Biochemistry

Education History

Indian Institute of Science Education Research Thiruvananthapuram

India

MSC :: Chemistry

Publications

Anisha K Nigam, Jeremiah D Momper, Anupam Anand Ojha, Sanjay K Nigam
Distinguishing Molecular Properties of OAT, OATP, and MRP Drug Substrates by Machine Learning. Pharmaceutics 16 (5) (2024)
Anisha K Nigam, Jeremiah D Momper, Anupam Anand Ojha, Sanjay K Nigam
Distinguishing Molecular Properties of OAT, OATP, and MRP Drug Substrates by Machine Learning. Pharmaceutics 16 (5) (2024)
Anupam Anand Ojha, Ambuj Srivastava, Lane William Votapka, Rommie Elizabeth Amaro
Selectivity and Ranking of Tight-Binding JAK-STAT Inhibitors Using Markovian Milestoning with Voronoi Tessellations. Journal of chemical information and modeling (2023)
Anupam Anand Ojha, Lane William Votapka, Rommie Elizabeth Amaro
QMrebind: incorporating quantum mechanical force field reparameterization at the ligand binding site for improved drug-target kinetics through milestoning simulations. Chemical science 14 (45) (2023)
Anupam Anand Ojha, Saumya Thakur, Surl-Hee Ahn, Rommie Elizabeth Amaro
DeepWEST: Deep Learning of Kinetic Models with the Weighted Ensemble Simulation Toolkit for Enhanced Sampling. Journal of chemical theory and computation 19 (4) (2023)
Anupam Anand Ojha, Saumya Thakur, Surl-Hee Ahn, Rommie Elizabeth Amaro
DeepWEST: Deep Learning of Kinetic Models with the Weighted Ensemble Simulation Toolkit for Enhanced Sampling. Journal of chemical theory and computation (2023)
Anupam Anand Ojha, Saumya Thakur, Surl-Hee Ahn, Rommie Elizabeth Amaro
DeepWEST: Deep Learning of Kinetic Models with the Weighted Ensemble Simulation Toolkit for Enhanced Sampling. Journal of chemical theory and computation (2023)
Lane W Votapka, Andrew M Stokely, Anupam Anand Ojha, Rommie Elizabeth Amaro
SEEKR2: Versatile Multiscale Milestoning Utilizing the OpenMM Molecular Dynamics Engine. Journal of chemical information and modeling 62 (13) (2022)
Anisha K Nigam, Anupam Anand Ojha, Julia G Li, Da Shi, Vibha Bhatnagar, Kabir B Nigam, Ruben Abagyan, Sanjay K Nigam
Molecular Properties of Drugs Handled by Kidney OATs and Liver OATPs Revealed by Chemoinformatics and Machine Learning: Implications for Kidney and Liver Disease. Pharmaceutics 13 (10) (2021)
Surl-Hee Ahn, Anupam Anand Ojha, Rommie Elizabeth Amaro, James Andrew McCammon
Gaussian-Accelerated Molecular Dynamics with the Weighted Ensemble Method: A Hybrid Method Improves Thermodynamic and Kinetic Sampling. Journal of chemical theory and computation (2021)
Benjamin R Jagger, Anupam Anand Ojha, Rommie Elizabeth Amaro
Predicting Ligand Binding Kinetics Using a Markovian Milestoning with Voronoi Tessellations Multiscale Approach. Journal of chemical theory and computation 16 (8) (2020)

Anupam Anand Ojha.css-eqlu8i{font-size:small;padding-left:4px;} (Anupam A Ojha)

Publication Activity (10 Years)

Top Topics

Top Venues

Anupam Anand Ojha (Anupam A Ojha)