Search

Categories

Theoretical and Computational Chemistry

(3)

Content Types

Working Paper

(3)

Keywords

CpHMD

Authors

3 results in Keywords: CpHMD

Theoretical and Computational Chemistry

Titr-DMD – A Rapid, Coarse-Grained Quasi-All-Atom Constant pH Molecular Dynamics Framework

David Reilley, Anastassia N. Alexandrova, Jian Wang, Nikolay Dokholyan

Version 2 posted 05 April 2021

492

Downloads

Theoretical and Computational Chemistry

Adding the AMBER 14SB force field to the stochastic titration CpHMD method

João G. N. Sequeira, Adrian E. Roitberg, Miguel Machuqueiro

Version 1 posted 14 March 2025

133

Downloads

Theoretical and Computational Chemistry

The Propionic Chains of Biliverdin Influence Oligomerization in Sandercyanin

Eleftherios Mainas, Gregory Curtin, Shaena Riddles, Elisa Pieri

Version 1 posted 07 October 2024

492

Downloads