🏆 Finalist — NIH Data Sharing Index (“S-Index”) Challenge

Anupam Anand Ojha

Computational Physics (United States)

ORCID: 0000-0001-6588-3092

Also affiliated with Flatiron Health (United States), Flatiron Institute

Biochemistry, Genetics and Molecular BiologyComputer ScienceMaterials SciencePhysics and Astronomy

Pilot corpus only

This score is computed over theSindex pilot corpus and does not cover the full scientific literature. Scores are relative to papers we have ingested — papers, authors, and institutions outside the pilot are not represented. Methodology.

Top 100%percentile
0Author DataRank

Indexed papers

0in pilot corpus
datarank_citation_only_1hop_v6· scope data_onlyMethodology

Papers

Driven by 13 papers. Top paper: “Gaussian accelerated molecular dynamics with the weighted ensemble method: a hybrid method improves thermodynamic and kinetic sampling”.

Gaussian accelerated molecular dynamics with the weighted ensemble method: a hybrid method improves thermodynamic and kinetic sampling

ChemRxiv(2021)10.26434/chemrxiv-2021-2j2zr-v2
N/A
0.241DataRank · unranked
4 citations

Anupam Anand Ojha, Rommie E. Amaro, J. Andrew McCammon, Surl-Hee Ahn

An Introductory Tutorial to the SEEKR2 (Simulation Enabled Estimation of Kinetic Rates v. 2) Multiscale Milestoning Software [Article v1.0]

Living Journal of Computational Molecular Science(2024)10.33011/livecoms.5.1.2359
N/A
0.165DataRank · unranked
2 citations

Lane Votapka, Gary Huber, Shang Gao, Rommie E. Amaro, Anupam Anand Ojha

Gaussian accelerated molecular dynamics with the weighted ensemble method: a hybrid method improves thermodynamics and kinetics sampling

(2021)10.33774/chemrxiv-2021-2j2zr
N/A
0.104DataRank · unranked
1 citations

Anupam Anand Ojha, Rommie E. Amaro, J. Andrew McCammon, Surl-Hee Ahn

DeepWEST: Deep learning of kinetic models with the Weighted Ensemble Simulation Toolkit for enhanced kinetic and thermodynamic sampling

ChemRxiv(2022)10.26434/chemrxiv-2022-k6dr2
N/A
0DataRank · unranked
2 citations

Saumya Thakur, Surl-Hee Ahn, Rommie E. Amaro, Anupam Anand Ojha

Gaussian-Accelerated Molecular Dynamics with the Weighted Ensemble Method: A Hybrid Method Improves Thermodynamic and Kinetic Sampling

Journal of Chemical Theory and Computation(2021)10.1021/acs.jctc.1c00770
N/A
0DataRank · unranked
39 citations

Anupam Anand Ojha, Rommie E. Amaro, J. Andrew McCammon, Surl-Hee Ahn

Selectivity and ranking of tight-binding JAK-STAT inhibitors using Markovian milestoning with Voronoi tessellations

bioRxiv (Cold Spring Harbor Laboratory)(2022)10.1101/2022.11.10.516058
N/A
0DataRank · unranked
2 citations

Ambuj Srivastava, Lane Votapka, Rommie E. Amaro, Anupam Anand Ojha

DeepWEST: Deep learning of kinetic models with the Weighted Ensemble Simulation Toolkit for enhanced sampling

ChemRxiv(2022)10.26434/chemrxiv-2022-k6dr2-v3
N/A
0DataRank · unranked
1 citations

Saumya Thakur, Surl-Hee Ahn, Rommie E. Amaro, Anupam Anand Ojha

Selectivity and Ranking of Tight-Binding JAK-STAT Inhibitors Using Markovian Milestoning with Voronoi Tessellations

Journal of Chemical Information and Modeling(2023)10.1021/acs.jcim.2c01589
N/A
0DataRank · unranked
25 citations

Ambuj Srivastava, Lane Votapka, Rommie E. Amaro, Anupam Anand Ojha

QMrebind: incorporating quantum mechanical force field reparameterization at the ligand binding site for improved drug-target kinetics through milestoning simulations

Chemical Science(2023)10.1039/d3sc04195f
N/A
0DataRank · unranked
15 citations

Lane Votapka, Rommie E. Amaro, Anupam Anand Ojha

An introductory tutorial to the SEEKR2 (Simulation enabled estimation of kinetic rates v. 2) multiscale milestoning software [Article v1.0]

ChemRxiv(2023)10.26434/chemrxiv-2023-kd1wt
N/A
0DataRank · unranked
1 citations

Lane Votapka, Gary Huber, Shang Gao, Rommie E. Amaro, Anupam Anand Ojha

DeepWEST: Deep learning of kinetic models with the Weighted Ensemble Simulation Toolkit for enhanced sampling

ChemRxiv(2022)10.26434/chemrxiv-2022-k6dr2-v2
N/A
0DataRank · unranked
2 citations

Saumya Thakur, Surl-Hee Ahn, Rommie E. Amaro, Anupam Anand Ojha

Gaussian accelerated molecular dynamics with the weighted ensemble method: a hybrid method improves thermodynamic and kinetic sampling

Figshare(2021)10.33774/chemrxiv-2021-2j2zr-v2
N/A
0DataRank · unranked
3 citations

Anupam Anand Ojha, Rommie E. Amaro, J. Andrew McCammon, Surl-Hee Ahn

Gaussian accelerated molecular dynamics with the weighted ensemble method: a hybrid method improves thermodynamics and kinetics sampling

ChemRxiv(2021)10.26434/chemrxiv-2021-2j2zr
N/A
0DataRank · unranked
0 citations

Anupam Anand Ojha, Rommie E. Amaro, J. Andrew McCammon, Surl-Hee Ahn