Medicinal Chemistry Research · 2012 · 21 citations · 23 references
PharmacyChemistryMedicinal ChemistryBiomolecular ModelingStructural BiologyStructure-activity RelationshipsLigand BindingLigand-based DesignMolecular DescriptorsMolecular ModelingReceptor ModelingStructure-activity Relationship Analysis3D Molecular ModelingImmunomodulatory BiologicsImmunomodulatory EffectsMolecular Property-based DesignQuantitative Structure - Property Relationship ModelingQuantitative Structure-property Relationship ModelsStructure - Activity Relationship OptimizationStructure-activity Relationship Modeling
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VMD: Visual molecular dynamics
William Humphrey, Andrew Dalke, Klaus Schulten · Journal of Molecular Graphics · 1996 · 66.6K citations
LINCS: A linear constraint solver for molecular simulations
Berk Hess, Henk Bekker, Herman J. C. Berendsen et al. · Journal of Computational Chemistry · 1997 · 17.1K citations
Natural Sciences, Chemistry, Physics +14