San Francisco / Austin / Darmstadt / San Diego / /
Company
Sharp / Woodson S. A. / EMD Biosciences / Ligand / Wilson / Beuscher A. E. / Roitberg A. E. / GE Healthcare / Eriksson A. E. / Accelrys / Kaifer A. E. / Coleman / ASSOCIATED CONTENT / /
Country
Guinea / United States / /
Currency
pence / / /
Event
Labor Issues / /
Facility
University of California San Francisco / The DOCK / /
IndustryTerm
challenge using model systems / hydrogen-donating / overall electrostatic interaction energy / overall docking energy score / protein site / hydrogen-bond donating / interaction energy / docked energy / pharmaceutical / formal interaction energy analysis / energy / molecular energy functions / hydrophobic site / high-energy conformation / overall energy score / charged site / electrostatic energy / host−guest systems / model systems / energy scores / chemicals / carbonyl / /
Organization
National Institute of Health / Brian K. Shoichet* Department of Pharmaceutical Chemistry / American Chemical Society / University of California San Francisco / /
Person
Trent E. Balius / Sarah Barelier / Marcus Fischer / Gabriel Rocklin / Price / Maloney / Brian K. Shoichet / Matthew Merski / Huey / John Chodera / Joel Karpiak / Oliv Eidam / / /
Position
driver / D. J. / AUTHOR / /
Product
dimethyl sulfoxide / /
ProvinceOrState
California / /
Technology
alpha / X-ray / high-throughput screening / drug screening / drug discovery / crystallization / simulation / /
Article pubs.acs.org/jmc Terms of Use The Impact of Introducing a Histidine into an Apolar Cavity Site on