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Anupam Anand Ojha

center in green chemistry and catalysis

12H指数
49论文数
556被引数
收录论文 16
发表时间
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Reconsidering Excellence in the Chemical Sciences: Lessons from First-Generation Chemists重新审视化学科学中的卓越性：来自第一代化学家的启示
errACS Central Science
IF10.4
err2026-09-23
err0
PREAI
errRobert A. Ives; David N. Azulay; Adam Cook; Mamta Dagar; Douglas J. Fansher; Roshan Keshari; Anupam Anand Ojha; Shivani Patel; Christian Sandoval-Pauker; Nitesh Sanghai; Brittany K. Trinh; Vishal Yadav; Zhiling Zheng
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seekrflow: Towards an End-to-End Automated Simulation Pipeline with Machine-Learned Force Fields for Accelerated Drug-Target Kinetic and Thermodynamic PredictionsSeekrflow：面向机器学习力场加速药物-靶点动力学和热力学预测的端到端自动化模拟流程
errJournal of Chemical Theory and Computation
IF5.5
err2026-06-12
err0
PREAI
errAnupam A. Ojha; Lane W. Votapka; Shiksha Dutta; Anson F. Noland; Sonya M. Hanson; Rommie E. Amaro
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The ManifoldEM method for cryo-EM: a step-by-step breakdown accompanied by a modern Python implementation单分子EM方法：分步解析及现代Python实现
errACTA CRYSTALLOGRAPHICA SECTION D-STRUCTURAL BIOLOGY
IF3.8
err2025-02-28
err0
PREAI
errOjha, AA; Blackwell, R; Cruz-Chú, ER; Dsouza, R; Astore, MA; Schwander, P; Hanson, SM
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Advances and Challenges in Milestoning Simulations for Drug-Target Kinetics
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2024-11-07
err1
errOAAI
errOjha, Anupam Anand; Votapka, Lane W.; Amaro, Rommie E.
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Simulation-driven design of stabilized SARS-CoV-2 spike S2 immunogens
errNATURE COMMUNICATIONS
IF15.7
err2024-08-27
err0
errOAAI
errNuqui, Xandra; Casalino, Lorenzo; Zhou, Ling; Shehata, Mohamed; Wang, Albert; Tse, Alexandra L.; Ojha, Anupam A.; Kearns, Fiona L.; Rosenfeld, Mia A.; Miller, Emily Happy; Acreman, Cory M.; Ahn, Surl-Hee; Chandran, Kartik; McLellan, Jason S.; Amaro, Rommie E.
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Distinguishing Molecular Properties of OAT, OATP, and MRP Drug Substrates by Machine Learning
errPHARMACEUTICS
IF5.5
err2024-04-26
err3
errOAAI
errNigam, Anisha K.; Momper, Jeremiah D.; Ojha, Anupam Anand; Nigam, Sanjay K.
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Selectivity and Ranking of Tight-Binding JAK-STAT Inhibitors Using Markovian Milestoning with Voronoi Tessellations
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2023-04-06
err17
errOAAI
errOjha, Anupam Anand; Srivastava, Ambuj; Votapka, Lane William; Amaro, Rommie E.
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DeepWEST: Deep Learning of Kinetic Models with the Weighted Ensemble Simulation Toolkit for Enhanced Sampling
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2023-01-31
err16
errOAAI
errOjha, Anupam Anand; Thakur, Saumya; Ahn, Surl-Hee; Amaro, Rommie E.
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QMrebind: incorporating quantum mechanical force field reparameterization at the ligand binding site for improved drug-target kinetics through milestoning simulations
errCHEMICAL SCIENCE
IF7.4
err2023-01-01
err6
errOAAI
errOjha, Anupam Anand; Votapka, Lane William; Amaro, Rommie Elizabeth
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SEEKR2: Versatile Multiscale Milestoning Utilizing the OpenMM Molecular Dynamics Engine
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2022-06-27
err24
errOAAI
errVotapka, Lane W.; Stokely, Andrew M.; Ojha, Anupam A.; Amaro, Rommie E.
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Gaussian-Accelerated Molecular Dynamics with the Weighted Ensemble Method: A Hybrid Method Improves Thermodynamic and Kinetic Sampling
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2021-11-30
err23
errOAAI
errAhn, Surl-Hee; Ojha, Anupam A.; Amaro, Rommie E.; McCammon, J. Andrew
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Molecular Properties of Drugs Handled by Kidney OATs and Liver OATPs Revealed by Chemoinformatics and Machine Learning: Implications for Kidney and Liver Disease
errPHARMACEUTICS
IF5.5
err2021-10-18
err16
errOAAI
errNigam, Anisha K.; Ojha, Anupam A.; Li, Julia G.; Shi, Da; Bhatnagar, Vibha; Nigam, Kabir B.; Abagyan, Ruben; Nigam, Sanjay K.
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Predicting Ligand Binding Kinetics Using a Markovian Milestoning with Voronoi Tessellations Multiscale Approach
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2020-06-24
err36
PREAI
errJagger, Benjamin R.; Ojha, Anupam A.; Amaro, Rommie E.
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Paper based field deployable sensor for naked eye monitoring of copper (II) ions; elucidation of binding mechanism by DFT studies
errSPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
IF4.6
err2019-12-01
err23
PREAI
errVishaka, Halali V.; Saxena, Manav; Chandan, H. R.; Ojha, Anupam Anand; Balakrishna, R. Geetha
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Water-Stable Nanoscale Zirconium-Based Metal-Organic Frameworks for the Effective Removal of Glyphosate from Aqueous Media
errACS OMEGA
IF4.3
err2018-07-12
err111
errOAAI
errPankajakshan, Asha; Sinha, Mekhola; Ojha, Anupam Anand; Mandal, Sukhendu
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Turn-on Fluorescence Sensing and Discriminative Detection of Aliphatic Amines Using a 5-Fold-Interpenetrated Coordination Polymer
errINORGANIC CHEMISTRY
IF4.7
err2017-05-30
err59
PREAI
errMani, Prabu; Ojha, Anupam Anand; Reddy, Vennapusa Sivaranjana; Mandal, Sukhendu
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研究方向

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合作学者
合作期刊
J
J. Andrew McCammon
H 指数: 134 · 论文数: 1.1K
R
Ruben Abagyan
H 指数: 95 · 论文数: 469
J
Jason S. McLellan
H 指数: 85 · 论文数: 360
S
Sanjay K. Nigám
H 指数: 83 · 论文数: 345
R
Rommie E. Amaro
H 指数: 63 · 论文数: 542
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