Special Issue on Free Energy
Author:
Affiliation:
1. University of California at San Diego, San Diego, California, United States
2. University of Chicago, Chicago, Illinois, United States
3. Florida State University, Tallahassee, Florida, United States
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry,Computer Science Applications
Link
https://pubs.acs.org/doi/pdf/10.1021/ct500366u
Cited by 5 articles. 订阅此论文施引文献 订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献
1. Determining pathways of minimum work: simple examples;Molecular Physics;2024-06-11
2. Addressing Suboptimal Poses in Nonequilibrium Alchemical Calculations;The Journal of Physical Chemistry B;2024-02-07
3. Bridging semiempirical and ab initio QM/MM potentials by Gaussian process regression and its sparse variants for free energy simulation;The Journal of Chemical Physics;2023-08-02
4. Facilitating ab initio QM/MM free energy simulations by Gaussian process regression with derivative observations;Physical Chemistry Chemical Physics;2022
5. Dual QM and MM Approach for Computing Equilibrium Isotope Fractionation Factor of Organic Species in Solution;Molecules;2018-10-15
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