James C Gumbart

2PUBLICATIONS
5CO-AUTHORS
Biomolecular modelling and designTheoretical quantum chemistry
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Publications (2)

|Nov 03, 2020
Parameterization of a drug molecule with a halogen σ-hole particle using ffTK: Implementation, testing, and comparison.

Yui Tik Pang, Anna Pavlova, Emad Tajkhorshid

|Aug 24, 2018
Folding free energy landscapes of β-sheets with non-polarizable and polarizable CHARMM force fields.

Anthony J Hazel, Evan T Walters, Christopher N Rowley

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