Search filters

List of works by Tom Kurtzman

A molecular reconstruction approach to site-based 3D-RISM and comparison to GIST hydration thermodynamic maps in an enzyme active site

scientific article published on 10 July 2019

An online repository of solvation thermodynamic and structural maps of SARS-CoV-2 targets

scientific article published on 12 September 2020

Hidden bias in the DUD-E dataset leads to misleading performance of deep learning in structure-based virtual screening

scientific article published on 20 August 2019

Role of Displacing Confined Solvent in the Conformational Equilibrium of β-Cyclodextrin

scientific article published on 01 October 2019

Simulating Water Exchange to Buried Binding Sites

scientific article published on 13 March 2019

Solvation Structure and Thermodynamic Mapping (SSTMap): An Open-Source, Flexible Package for the Analysis of Water in Molecular Dynamics Trajectories.

scientific article

Thermodynamic Decomposition of Solvation Free Energies with Particle Mesh Ewald and Long-Range Lennard-Jones Interactions in Grid Inhomogeneous Solvation Theory

scientific article published on 15 April 2021

Paulina is supported by:

About Paulina

Help