Wiley InterScience / Hassan SA / C 2007 WILEY-LISS INC. / C V 2007 Wiley-Liss Inc. / Ligand / BS and RiBV / DelPhi / /
Country
Spain / /
Currency
pence / / /
Facility
Barcelona Supercomputer Center / /
IndustryTerm
molecular mechanics energy functions / free energy calculations / artifactual grid energy cancels / electrostatic energy / free energy / receptor interaction energy / chemical composition / parameter search / grid technology / soft-core energy function / implicit hydration free energy / electrostatic free energy barriers characteristic / solvation energy / free energy using continuum electrostatics solvation / solvation energy density occlusion / energy pair / biomolecular systems / computing / solvation energy density / dielectric media / average computing time / desolvation free energy / electrostatic binding free energy / energy contributions / self-energy terms / numerical solutions / energy density occlusion approximation / solvaR tion energy / numerical solution / energy / estimating the energy / /
Organization
R. Ortiz Bioinformatics Unit / Bioinformatics Unit / Barcelona Supercomputer Center / Universidad Auto´noma de Madrid / /
Person
Mohan V / Severo Ochoa / Antonio Morreale / Ai / /
Position
Jacobson MP / hb / electrostatic solvation model for protein-fragment docking / representative / /
PROTEINS: Structure, Function, and Bioinformatics 67:606–A New Implicit Solvent Model for Protein–Ligand Docking ´ ngel R. Ortiz* Antonio Morreale, Rube´n Gil-Redondo, and A Bioinformatics Unit, Centro