Open AccessUsing quantum mechanics to improve estimates of amino acid side chain rotamer energies
Author(s) -
P. Douglas Renfrew,
Glenn L. Butterfoss,
Brian Kuhlman
Publication year - 2008
Publication title -
carolina digital repository (university of north carolina at chapel hill)
Language(s) - English
DOI - 10.17615/m8s1-nk62
Subject(s) - conformational isomerism , chain (unit) , molecular mechanics , quantum chemical , quantum , statistical physics , computational chemistry , physics , quantum mechanics , classical mechanics , theoretical physics , chemistry , molecular dynamics , molecule