Qiagen / Beckman Coulter / World Scientific / Protein Data Bank / J Chem Theory Comp / pET / Actelion Pharmaceuticals Ltd. / GE Healthcare / Rock CO / Bio-Rad / Schrödinger LLC / MM-PB(GB)SA / /
Country
Switzerland / Singapore / /
Facility
University of Pittsburgh Medical Center / University of California / /
IndustryTerm
active site / molecular dynamics algorithms / free energy calculations / reconstructed metabolic network / organic and biological systems / carbonyl oxygen / free energy / active-site / final products / quantitative sequence homology search / equilibration protocols / polar / solvation free energy / extra precision scoring algorithm / metabolic network / free energy estimates / carrier protein transacylase / equilibration protein-compound systems / /
OperatingSystem
XP / GNU / /
Organization
University of Pittsburgh / Cornell / University of California / San Francisco / Pittsburgh Medical Center / /