📣 Help Shape the Future of UKRI's Gateway to Research (GtR)

We're improving UKRI's Gateway to Research and are seeking your input! If you would be interested in being interviewed about the improvements we're making and to have your say about how we can make GtR more user-friendly, impactful, and effective for the Research and Innovation community, please email gateway@ukri.org.

Combined free energy calculation and machine learning methods for understanding ligand unbinding kinetics (2021)

First Author: Badaoui M

Attributed to: Novel Enhanced Sampling Methods in Multiscale Modeling funded by EPSRC

Abstract

No abstract provided

Bibliographic Information

Digital Object Identifier: http://dx.doi.org/10.1101/2021.09.08.459492

Publication URI: http://dx.doi.org/10.1101/2021.09.08.459492

Type: Preprint