Implicit Solvation Using the Superposition Approximation (IS-SPA): An Implicit Treatment of the Nonpolar Component to Solvation for Simulating Molecular Aggregation

Document Details

Document Type: Pub Defense Publication
Publication Date: Nov 21, 2017
Source ID: 10.1021/acs.jctc.7b00698

Entities

People

Martin McCullagh
Peter T. Lake

Organizations

Colorado State University
United States Department of Defense