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T

Tom Kurtzman

City University of New York

17H-index
51Paper Count
3.0KCitation Count
Published Papers 19
Publication Date
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A Self-Consistent Approach to Rotamer and Protonation State Assignments (RAPA): Moving Beyond Single Protein Configurations
errJournal of Chemical Information and Modeling
IF5.3
err2025-06-11
err0
errOAAI
errMossa Ghattas; Prerna Gera; Steven Ramsey; Anthony Cruz-Balberdy; Nathan Abraham; Vjay Molino; Daniel McKay; Tom Kurtzman
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Development of Receptor Desolvation Scoring and Covalent Sampling in DOCK 6: Methods Evaluated on a RAS Test Set
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2025-01-06
err0
errOAAI
errTan, Y. Stanley; Chakrabarti, Mayukh; Stein, Reed M.; Prentis, Lauren E.; Rizzo, Robert C.; Kurtzman, Tom; Fischer, Marcus; Balius, Trent E.
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Free Energy Density of a Fluid and Its Role in Solvation and Binding
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2024-03-27
err2
PREAI
errGilson, Michael K.; Kurtzman, Tom
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The AmberTools
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2023-10-08
err474
errOAAI
errCase, David A.; Aktulga, Hasan Metin; Belfon, Kellon; Cerutti, David S.; Cisneros, G. Andres; Cruzeiro, Vinicus Wilian D.; Forouzesh, Negin; Giese, Timothy J.; Gotz, Andreas W.; Gohlke, Holger; Izadi, Saeed; Kasavajhala, Koushik; Kaymak, Mehmet C.; King, Edward; Kurtzman, Tom; Lee, Tai-Sung; Li, Pengfei; Liu, Jian; Luchko, Tyler; Luo, Ray; Manathunga, Madushanka; Machado, Matias R.; Nguyen, Hai Minh; O'Hearn, Kurt A.; Onufriev, Alexey V.; Pan, Feng; Pantano, Sergio; Qi, Ruxi; Rahnamoun, Ali; Risheh, Ali; Schott-Verdugo, Stephan; Shajan, Akhil; Swails, Jason; Wang, Junmei; Wei, Haixin; Wu, Xiongwu; Wu, Yongxian; Zhang, Shi; Zhao, Shiji; Zhu, Qiang; Cheatham, I. I. I. Thomas E.; Roe, Daniel R.; Roitberg, Adrian; Simmerling, Carlos; York, Darrin M.; Nagan, Maria C.; Merz, Jr Kenneth M.
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Application of the alchemical transfer and potential of mean force methods to the SAMPL8 host-guest blinded challenge
errJOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN
IF3.1
err2022-01-21
err10
errOAAI
errAzimi, Solmaz; Wu, Joe Z.; Khuttan, Sheenam; Kurtzman, Tom; Deng, Nanjie; Gallicchio, Emilio
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Thermodynamic Decomposition of Solvation Free Energies with Particle Mesh Ewald and Long-Range Lennard-Jones Interactions in Grid Inhomogeneous Solvation Theory
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2021-04-08
err21
errOAAI
errChen, Lieyang; Cruz, Anthony; Roe, Daniel R.; Simmonett, Andrew C.; Wickstrom, Lauren; Deng, Nanjie; Kurtzman, Tom
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An online repository of solvation thermodynamic and structural maps of SARS-CoV-2 targets
errJOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN
IF3.1
err2020-09-12
err9
errOAAI
errOlson, Brian; Cruz, Anthony; Chen, Lieyang; Ghattas, Mossa; Ji, Yeonji; Huang, Kunhui; Ayoub, Steven, Jr.; Luchko, Tyler; McKay, Daniel J.; Kurtzman, Tom
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Simulating Water Exchange to Buried Binding Sites
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2019-03-05
err38
errOAAI
errBen-Shalom, Ido Y.; Lin, Charles; Kurtzman, Tom; Walker, Ross C.; Gilson, Michael K.
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errSave
New Dopamine D3-Selective Receptor Ligands Containing a 6-Methoxy-1,2,3,4-tetrahydroisoquinolin-7-ol Motif
errACS MEDICINAL CHEMISTRY LETTERS
IF4
err2018-09-10
err14
errOAAI
errGadhiya, Satishkumar; Cordone, Pierpaolo; Pal, Rajat K.; Gallicchio, Emilio; Wickstrom, Lauren; Kurtzman, Tom; Ramsey, Steven; Harding, Wayne W.
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errSave
Water Pharmacophore: Designing Ligands using Molecular Dynamics Simulations with Water
errSCIENTIFIC REPORTS
IF3.9
err2018-07-10
err21
errOAAI
errJung, Sang Won; Kim, Minsup; Ramsey, Steven; Kurtzman, Tom; Cho, Art E.
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errSave
Solvation Structure and Thermodynamic Mapping (SSTMap): An Open-Source, Flexible Package for the Analysis of Water in Molecular Dynamics Trajectories
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2017-12-08
err45
errOAAI
errHaider, Kamran; Cruz, Anthony; Ramsey, Steven; Gilson, Michael K.; Kurtzman, Tom
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errSave
Testing inhomogeneous solvation theory in structure-based ligand discovery
errPROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
IF9.1
err2017-07-31
err64
errOAAI
errBalius, Trent E.; Fischer, Marcus; Stein, Reed M.; Adler, Thomas B.; Nguyen, Crystal N.; Cruz, Anthony; Gilson, Michael K.; Kurtzman, Tom; Shoichet, Brian K.
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errSave
A combined treatment of hydration and dynamical effects for the modeling of host-guest binding thermodynamics: the SAMPL5 blinded challenge (vol 31, pg 29, 2017)
errJOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN
IF3.1
err2016-11-04
err0
errOAAI
errPal, Rajat Kumar; Haider, Kamran; Kaur, Divya; Flynn, William; Xia, Junchao; Levy, Ronald M.; Taran, Tetiana; Wickstrom, Lauren; Kurtzman, Tom; Gallicchio, Emilio
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errSave
A combined treatment of hydration and dynamical effects for the modeling of host-guest binding thermodynamics: the SAMPL5 blinded challenge
errJOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN
IF3.1
err2016-09-30
err18
errOAAI
errPal, Rajat Kumar; Haider, Kamran; Kaur, Divya; Flynn, William; Xia, Junchao; Levy, Ronald M.; Taran, Tetiana; Wickstrom, Lauren; Kurtzman, Tom; Gallicchio, Emilio
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errSave
Solvation thermodynamic mapping of molecular surfaces in AmberTools: GIST
errJOURNAL OF COMPUTATIONAL CHEMISTRY
IF4.8
err2016-06-18
err100
errOAAI
errRamsey, Steven; Nguyen, Crystal; Salomon-ferrer, Romelia; Walker, Ross C.; Gilson, Michael K.; Kurtzman, Tom
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Spatial Decomposition of Translational Water-Water Correlation Entropy in Binding Pockets
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2015-12-04
err44
errOAAI
errNguyen, Crystal N.; Kurtzman, Tom; Gilson, Michael K.
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errSave
Estimation of Solvation Entropy and Enthalpy via Analysis of Water Oxygen-Hydrogen Correlations
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2015-10-21
err30
errOAAI
errVelez-Vega, Camilo; McKay, Daniel J. J.; Kurtzman, Tom; Aravamuthan, Vibhas; Pearlstein, Robert A.; Duca, Jose S.
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Thermodynamics of Water in an Enzyme Active Site: Grid-Based Hydration Analysis of Coagulation Factor Xa
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2014-04-16
err127
errOAAI
errNguyen, Crystal N.; Cruz, Anthony; Gilson, Michael K.; Kurtzman, Tom
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errSave
Solvation Energetic Costs of Cognate Binding Site Formation
errJournal of Chemical Information and Modeling
IF5.3
err
err0
errOAAI
errYeonji Ji; Vjay Molino; Steven Ramsey; Tom Kurtzman
errShare
errSave

Research Directions

No research directions
Co-authors
Cooperation Journals
B
Brian K. Shoichet
H-index: 114 · Papers: 414
D
David A. Case
H-index: 107 · Papers: 518
M
Michael K. Gilson
H-index: 83 · Papers: 411
K
Kenneth M. Merz
H-index: 83 · Papers: 690
王君玫 cover
王君玫 (Junmei Wang)
H-index: 76 · Papers: 751
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