Protein Data Bank / Immune Deficiency Syndromes 1993 / Groot T & Boucher C. Worldwide / International Medical Press / Matsuda / Yale University Press / Salomon / Cummins / Ligand / ViroLogic Inc. / AIDS Clinical Trials Group / Hess / AMD / /
Country
United States / Argentina / /
Currency
pence / AMD / / /
Event
FDA Phase / /
Facility
Hetero-compound Information Centre / University of Washington School / University of California / / /
IndustryTerm
active site / lowest-energy solution / free energy calculations / short energy minimization / final docked energy / energy minimization / molecular dynamics protocol / energy evaluations / free energy / local search space / conjugate gradient energy minimization parameters / local search / neural networks / local search iterations / mutant active site / wild-type side chains / artificial neural networks / dynamics protocol / mutant side chains / side chain / computational tools / energy prediction / energy / torsional free energy / genotypic interpretation systems / empirical binding free energy function / inhibitor binding energy prediction / graph-theory algorithm / genetic algorithm / web-based support vector machine software / protease active site / treatment of HIV / chemical mechanism / intermolecular energy / resistant / homology modeling tool / internal energy / energy calculation / web server / susceptible / linear repulsive steric energy term / energy determination / rule-based interpretation systems / therapy for HIV / energy terms / calculated binding energy / /
MedicalCondition
JE / HIV / MS / HIV infection / AIDS / infection / Infectious Disease / /
University of California / University of Washington School of Medicine / National Academy of Sciences / International AIDS Society / Hetero-compound Information Centre / Yale University / American Chemical Society / Department of Microbiology / American Medical Association / FDA / Stanford / /
Person
Ekachai Jenwitheesuk / John E Mittler / Tsui V / Ram Samudrala / / /
Position
*Corresponding author / Carpenter / Mitsuyasu RT / Schooley RT / Cao / model for the docking step / energy representative / /
Journal of Molecular Biology / Antiviral Therapy / Journal of Clinical Microbiology / Journal of the American Medical Association / Proceedings of the National Academy of Sciences / Journal of Computational Chemistry / Journal of Acquired Immune Deficiency Syndromes / Journal of Computational Physics / Nucleic Acids Research / Journal of the American Chemical Society / /
Antiviral Therapy 10:157–166 Prediction of HIV-1 protease inhibitor resistance using a protein–inhibitor flexible docking approach Ekachai Jenwitheesuk and Ram Samudrala* Computational Genomics Group, Department of