Residue-based pharmacophore approaches to study protein–protein interactions
Rojan Shrestha, J. Eduardo Fajardo, András Fiser
Topics & Concepts
PharmacophoreSolvationMolecular dynamicsComputational biologyChemistryDrug discoveryFlexibility (engineering)Computer scienceVirtual screeningImplicit solvationCombinatorial chemistryComputational chemistryStereochemistryMoleculeBiochemistryBiologyMathematicsOrganic chemistryStatisticsMonoclonal and Polyclonal Antibodies ResearchProtein Structure and DynamicsComputational Drug Discovery Methods