Work

Efficiently computing pathway free energies: New approaches based on chain-of-replica and Non-Boltzmann Bennett reweighting schemes

Year: 2014

Type: article

Source: Biochimica et Biophysica Acta (BBA) - General Subjects

DOI: 10.1016/j.bbagen.2014.09.016

Authors: Phillip S. Hudson, Justin K. White, Fiona L. Kearns, Milan Hodoscek, Stefan Boresch, H. Lee Woodcock

Institutions: University of South Florida, National Institute of Chemistry, University of Vienna

Language: English

Topic: Advanced Physical and Chemical Molecular Interactions

Subfield: Physical and Theoretical Chemistry

Field: Chemistry

Domain: Physical Sciences

Open Access status: bronze

Funders: National Science Foundation, U.S. Department of Energy, University of South Florida, National Institutes of Health, U.S. Forest Service, National Heart, Lung, and Blood Institute

Awards: MRI: Acquistion of a Computational Cluster for Research and Training at the University of South Florida in Partnership with Eckerd College and the University of Tampa, Modern Drug Resistance: Elucidation of Beta-Lactamase Mechanisms of Action, INTEGRATED WEB USER INTERFACE FOR MULTI-SCALE CHEMICAL PHYSICS SIMULATIONS, G7169080348, G7984324708

OpenAlex ID: W2000940260

FWCI: 2.778

Cites: 115

Cited by: 32

Related to: 10