Search

Categories

Biological and Medicinal Chemistry

(2)

Theoretical and Computational Chemistry

(3)

Content Types

Working Paper

(3)

Published Date

Over 3 years

(2)

Last 3 years

(1)

Keywords

AMBER18

Authors

3 results in Keywords: AMBER18

Biological and Medicinal Chemistry

Simulating Water Exchange to Buried Binding Sites

Ido Ben-Shalom, charles Lin, Tom Kurtzman, ross walker, Michael Gilson

Version 1 posted 21 December 2018

1,044

Downloads

Theoretical and Computational Chemistry

Validation of AMBER/GAFF for Relative Free Energy Calculations

Lin Song, Tai-Sung Lee, Chun Zhu, Darrin M. York, Kenneth M. Merz Jr.

Version 1 posted 04 February 2019

1,867

Downloads

3

Citations

Theoretical and Computational Chemistry

Calculated hydration free energies become less accurate with increases in molecular weight

Version 1 posted 25 March 2024

556

Downloads