active site / agonist-bound active target site / methoxy / energy minimization / chemical groups / receptor binding site / literature mining / conformational space search using constraint space programming / energy decompositions / shorter alkyl chain / energy minimization method / energy decomposition analysis / membrane builder protocol / energy gradient convergence criterion / torsional energy / Prior binding site / per-residue interaction energy analysis / /
OperatingSystem
XP / /
Organization
Department of Biophysics / School of Medicine / Food and Drug Administration / European Medicines Agency / Centre for Molecular Simulations / University of Calgary / Bahcesehir University / Istanbul / Department of Biological Sciences / /
Person
Maestro / /
Position
author / /
Product
M270 / Glide/XP / /
ProvinceOrState
Alberta / /
Technology
Adam / molecular modeling / thermodynamics / CLUSTALW algorithm / docking algorithms / dielectric / ATM / drug design / following docking algorithms / simulation / drug screening / CHARMM-GUI membrane builder protocol / performed using the CLUSTALW algorithm / /
Durdagi et al. BMC Pharmacology and Toxicology 2014, 15:14 http://www.biomedcentral.com[removed]