Tai‐Sung Lee

Rutgers, The State University of New Jersey

Also affiliated with QB3, Rutgers Sexual and Reproductive Health and Rights, Quantitative BioSciences

Biochemistry, Genetics and Molecular BiologyPhysics and AstronomyMaterials Science

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: “AmberTools”.

AmberTools

Journal of Chemical Information and Modeling(2023)10.1021/acs.jcim.3c01153

N/A

8.3DataRank · unranked

1950 citations

Hasan Metin Aktulga, Kellon Belfon, David S. Cerutti, G. Andrés Cisneros, Vinícius Wilian D. Cruzeiro +42 more

Alchemical Enhanced Sampling with Optimized Phase Space Overlap

Journal of Chemical Theory and Computation(2024)10.1021/acs.jctc.4c00251

N/A

0.442DataRank · unranked

18 citations

Timothy J. Giese, Tai‐Sung Lee, Darrin M. York, Shi Zhang

Improvements in Precision of Relative Binding Free Energy Calculations Afforded by the Alchemical Enhanced Sampling (ACES) Approach

Journal of Chemical Information and Modeling(2024)10.1021/acs.jcim.4c00464

N/A

0.345DataRank · unranked

9 citations

James Xu, Guo Zhenyu, Yinhui Yi, Chuan Tian, Xinyu Que +6 more

Scaffold Hopping Transformations Using Auxiliary Restraints for Calculating Accurate Relative Binding Free Energies

ChemRxiv(2021)10.26434/chemrxiv.14140790.v1

N/A

0DataRank · unranked

1 citations

Zhipeng Li, Shuai Liu, Chunwang Peng, Dong Fang, Xiao Wan +6 more

Robust, Efficient and Automated Methods for Accurate Prediction of Protein-Ligand Binding Affinities in AMBER Drug Discovery Boost

ChemRxiv(2021)10.26434/chemrxiv.14727573.v1

N/A

0DataRank · unranked

0 citations

Hsu‐Chun Tsai, Abir Ganguly, Timothy J. Giese, Darrin M. York, Tai‐Sung Lee

Robust, Efficient and Automated Methods for Accurate Prediction of Protein-Ligand Binding Affinities in AMBER Drug Discovery Boost

ChemRxiv(2021)10.26434/chemrxiv.14727573

N/A

0DataRank · unranked

0 citations

Hsu‐Chun Tsai, Abir Ganguly, Timothy J. Giese, Darrin M. York, Tai‐Sung Lee

AMBER Drug Discovery Boost Tools: Automated Workflow for Production Free-Energy Simulation Setup and Analysis (ProFESSA)

Journal of Chemical Information and Modeling(2022)10.1021/acs.jcim.2c00879

N/A

0DataRank · unranked

38 citations

Hsu‐Chun Tsai, Mario Fernández-Pendás, Tai‐Sung Lee, Timothy J. Giese, Darrin M. York +1 more

ACES: Optimized Alchemically Enhanced Sampling

Journal of Chemical Theory and Computation(2023)10.1021/acs.jctc.2c00697

N/A

0DataRank · unranked

55 citations

Hsu‐Chun Tsai, Abir Ganguly, Darrin M. York, Tai‐Sung Lee

AMBER Free Energy Tools: A New Framework for the Design of Optimized Alchemical Transformation Pathways

Journal of Chemical Theory and Computation(2023)10.1021/acs.jctc.2c00725

N/A

0DataRank · unranked

43 citations

Tai‐Sung Lee, Abir Ganguly, Timothy J. Giese, Maximilian CCJC Ebert, Paul Labute +3 more

Improved Alchemical Free Energy Calculations with Optimized Smoothstep Softcore Potentials

Journal of Chemical Theory and Computation(2020)10.1021/acs.jctc.0c00237

N/A

0DataRank · unranked

74 citations

Zhixiong Lin, Bryce K. Allen, Charles Lin, Brian K. Radak, Yujun Tao +4 more

Recent Developments in Amber Biomolecular Simulations

Journal of Chemical Information and Modeling(2025)10.1021/acs.jcim.5c01063

N/A

0DataRank · unranked

131 citations

David S. Cerutti, Vinícius Wilian D. Cruzeiro, Thomas A. Darden, Robert E. Duke, Mahdieh Ghazimirsaeed +26 more

Validation of Free Energy Methods in AMBER

Journal of Chemical Information and Modeling(2020)10.1021/acs.jcim.0c00285

N/A

0DataRank · unranked

27 citations

Yujun Tao, Tai‐Sung Lee, Kenneth M. Merz, Darrin M. York, Hsu‐Chun Tsai

Scaffold Hopping Transformations Using Auxiliary Restraints for Calculating Accurate Relative Binding Free Energies

ChemRxiv(2021)10.26434/chemrxiv.14140790

N/A

0DataRank · unranked

2 citations

Zhipeng Li, Shuai Liu, Chunwang Peng, Dong Fang, Xiao Wan +6 more