Tom Kurtzman

Publication Activity (10 Years)

Years Active: 2017-2024
Publications (10 Years): 10

Top Topics

Capillary Electrophoresis

Top Venues

Journal of chemical theory and computation

The journal of physical chemistry. B

Journal of computer-aided molecular design

This page only lists publications with an associated author ORCID identifier.

Publications

Michael K Gilson, Tom Kurtzman
Free Energy Density of a Fluid and Its Role in Solvation and Binding. Journal of chemical theory and computation 20 (7) (2024)
Michael K Gilson, Tom Kurtzman
Free Energy Density of a Fluid and Its Role in Solvation and Binding. Journal of chemical theory and computation 20 (7) (2024)
Michael K Gilson, Tom Kurtzman
Free Energy Density of a Fluid and Its Role in Solvation and Binding. Journal of chemical theory and computation (2024)
Lieyang Chen, Anthony Cruz, Daniel R Roe, Andrew C Simmonett, Lauren Wickstrom, Nanjie Deng, Tom Kurtzman
Thermodynamic Decomposition of Solvation Free Energies with Particle Mesh Ewald and Long-Range Lennard-Jones Interactions in Grid Inhomogeneous Solvation Theory. Journal of chemical theory and computation 17 (5) (2021)
Brian Olson, Anthony Cruz, Lieyang Chen, Mossa Ghattas, Yeonji Ji, Kunhui Huang, Steven Ayoub, Tyler Luchko, Daniel J McKay, Tom Kurtzman
An online repository of solvation thermodynamic and structural maps of SARS-CoV-2 targets. Journal of computer-aided molecular design 34 (12) (2020)
Crystal Nguyen, Takeshi Yamazaki, Andriy Kovalenko, David A Case, Michael K Gilson, Tom Kurtzman, Tyler Luchko
A molecular reconstruction approach to site-based 3D-RISM and comparison to GIST hydration thermodynamic maps in an enzyme active site. PloS one 14 (7) (2019)
Lieyang Chen, Anthony Cruz, Steven Ramsey, Callum J Dickson, Jose S Duca, Viktor Hornak, David R Koes, Tom Kurtzman
Hidden bias in the DUD-E dataset leads to misleading performance of deep learning in structure-based virtual screening. PloS one 14 (8) (2019)
Peng He, Sheila Sarkar, Emilio Gallicchio, Tom Kurtzman, Lauren Wickstrom
Role of Displacing Confined Solvent in the Conformational Equilibrium of β-Cyclodextrin. The journal of physical chemistry. B 123 (40) (2019)
Ido Y Ben Shalom, Charles Lin, Tom Kurtzman, Ross C Walker, Michael K Gilson
Simulating Water Exchange to Buried Binding Sites. Journal of chemical theory and computation 15 (4) (2019)
Kamran Haider, Anthony Cruz, Steven Ramsey, Michael K Gilson, Tom Kurtzman
Solvation Structure and Thermodynamic Mapping (SSTMap): An Open-Source, Flexible Package for the Analysis of Water in Molecular Dynamics Trajectories. Journal of chemical theory and computation 14 (1) (2017)