Rapid, Accurate, Precise, and Reliable Relative Free Energy Prediction Using Ensemble Based Thermodynamic Integration. (2017)

First Author: Bhati AP
Attributed to:  Large Scale Lattice Boltzmann for Biocolloidal Systems funded by EPSRC

Abstract

No abstract provided

Bibliographic Information

Digital Object Identifier: http://dx.doi.org/10.1021/acs.jctc.6b00979

PubMed Identifier: 27997169

Publication URI: http://europepmc.org/abstract/MED/27997169

Type: Journal Article/Review

Volume: 13

Parent Publication: Journal of chemical theory and computation

Issue: 1

ISSN: 1549-9618