Binding Free Energies of Host–Guest Systems by Nonequilibrium Alchemical Simulations with Constrained Dynamics: Illustrative Calculations and Numerical Validation

标题
Binding Free Energies of Host–Guest Systems by Nonequilibrium Alchemical Simulations with Constrained Dynamics: Illustrative Calculations and Numerical Validation
作者
关键词
-
出版物
Journal of Chemical Theory and Computation
Volume 13, Issue 12, Pages 5887-5899
出版商
American Chemical Society (ACS)
发表日期
2017-11-08
DOI
10.1021/acs.jctc.7b00595

向作者/读者发起求助以获取更多资源

Find the ideal target journal for your manuscript

Explore over 38,000 international journals covering a vast array of academic fields.

Search

Ask a Question. Answer a Question.

Quickly pose questions to the entire community. Debate answers and get clarity on the most important issues facing researchers.

Get Started