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Updated: Aug 8, 2026

Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics
10:52

Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics

Published on: April 12, 2019

Monte Carlo simulation of water behavior around the dipeptide N-acetylalanyl-N-methylamide

A T Hagler, D J Osguthorpe, B Robson

    Science (New York, N.Y.)
    |May 9, 1980
    PubMed

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