To dock / DOCK PLOS ONE / University of Toronto / University of California San Francisco / DUD-E library / In building / The Scripps Research Institute / /
IndustryTerm
chemical biology / grid-based energy approach / energy function / chemical probes / energy score / energy window / chemical libraries / computer systems / low energy / genetic algorithm / low-energy aromatic hydroxyl rotamers / low-energy rotamers / physics-based energy calculation / conformational energy / high energy conformations / conformational energy calculation / low energy rotamers / orientational matching algorithm / high-energy / grids pre-compute receptor energy potential functions / explored software / important tool / energy functions / web-based implementation / energy scoring grids / favorable electrostatic and overall energy / energy / from optimizing energy scoring grids / /
OperatingSystem
XP / /
Organization
National Institute of Health / University of California San Francisco / San Francisco / Department of Pharmaceutical Chemistry / University of Toronto / Toronto / Scripps Research Institute / Faculty of Pharmacy / / /
Ligand Pose and Orientational Sampling in Molecular Docking Ryan G. Coleman1, Michael Carchia1, Teague Sterling1, John J. Irwin2, Brian K. Shoichet1,2* 1 Department of Pharmaceutical Chemistry, University of California S