Supporting Material: Addressing Suboptimal Poses in Nonequilibrium Alchemical Calculations

From MaRDI portal
(Redirected from Dataset:6719524)



DOI10.5281/zenodo.8377371Zenodo8377371MaRDI QIDQ6719524FDOQ6719524

Dataset published at Zenodo repository.

Maurice Karrenbrock, Francesco Luigi Gervasio, Piero Procacci, Valerio Rizzi

Publication date: 29 September 2023

Copyright license: Creative Commons Attribution 4.0 International



Description

Supporting Material: Addressing Suboptimal Poses in Nonequilibrium Alchemical CalculationsAddressing Suboptimal Poses in Nonequilibrium Alchemical CalculationsMaurice Karrenbrock, Valerio Rizzi, Piero Procacci, and Francesco Luigi GervasioThe Journal of Physical Chemistry BDOI: 10.1021/acs.jpcb.3c06516https://pubs.acs.org/doi/10.1021/acs.jpcb.3c06516







This page was built for dataset: Supporting Material: Addressing Suboptimal Poses in Nonequilibrium Alchemical Calculations

Retrieved from "https://portal.mardi4nfdi.de/w/index.php?title=Supporting_Material:_Addressing_Suboptimal_Poses_in_Nonequilibrium_Alchemical_Calculations&oldid=54687008"
Powered by MediaWiki