Solvation thermodynamic mapping of molecular surfaces in AmberTools: GIST. - Steven Ramsey; Crystal Nguyen; Romelia Salomón-Ferrer; Ross C. Walker; Michael K. Gilson; Tom Kurtzman (J. Comput. Chem., 2016)

A combined treatment of hydration and dynamical effects for the modeling of host-guest binding thermodynamics: the SAMPL5 blinded challenge. - Rajat Kumar Pal; Kamran Haider; Divya Kaur; William F. Flynn; Junchao Xia; Ronald M. Levy; Tetiana Taran; Lauren Wickstrom; Tom Kurtzman; Emilio Gallicchio (J. Comput. Aided Mol. Des., 2017)

Erratum to: A combined treatment of hydration and dynamical effects for the modeling of host-guest binding thermodynamics: the SAMPL5 blinded challenge. - Rajat Kumar Pal; Kamran Haider; Divya Kaur; William F. Flynn; Junchao Xia; Ronald M. Levy; Tetiana Taran; Lauren Wickstrom; Tom Kurtzman; Emilio Gallicchio (J. Comput. Aided Mol. Des., 2017)

An online repository of solvation thermodynamic and structural maps of SARS-CoV-2 targets. - Brian Olson; Anthony Cruz-Balberdy; Lieyang Chen; Mossa Ghattas; Yeonji Ji; Kunhui Huang; Steven Ayoub; Tyler Luchko; Daniel J. McKay; Tom Kurtzman (J. Comput. Aided Mol. Des., 2020)

Application of the alchemical transfer and potential of mean force methods to the SAMPL8 host-guest blinded challenge. - Solmaz Azimi; Joe Z. Wu; Sheenam Khuttan; Tom Kurtzman; Nanjie Deng; Emilio Gallicchio (J. Comput. Aided Mol. Des., 2022)

AmberTools. - David A. Case; Hasan Metin Aktulga; Kellon Belfon; David S. Cerutti; G. Andrés Cisneros; Vinícius Wilian D. Cruzeiro; Negin Forouzesh; Timothy J. Giese; Andreas W. Götz; Holger Gohlke; Saeed Izadi; Koushik Kasavajhala; et al. (J. Chem. Inf. Model., 2023)

A Self-Consistent Approach to Rotamer and Protonation State Assignments (RAPA): Moving Beyond Single Protein Configurations. - Mossa Ghattas; Prerna Gera; Steven Ramsey; Anthony Cruz-Balberdy; Nathan Abraham; Vjay Molino; Daniel J. McKay; Tom Kurtzman (J. Chem. Inf. Model., 2025)

Development of Receptor Desolvation Scoring and Covalent Sampling in DOCK 6: Methods Evaluated on a RAS Test Set. - Y. Stanley Tan; Mayukh Chakrabarti; Reed M. Stein; Lauren E. Prentis; Robert C. Rizzo; Tom Kurtzman; Marcus Fischer; Trent E. Balius (J. Chem. Inf. Model., 2025)