Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy · 2022 · 28 citations · 37 references
PharmacyChemistryMedicinal ChemistryBiophysical ChemistryDrug DesignStructural BiologyLigand BindingMolecular ModelingProtein BindingProtein StructureProtein Structure ModelingStructure-activity Relationship Analysis3D Molecular ModelingBinding Affinity AssessmentLigand Binding Analysis
37
VMD: Visual molecular dynamics
William Humphrey, Andrew Dalke, Klaus Schulten · Journal of Molecular Graphics · 1996 · 66.6K citations
Avogadro: an advanced semantic chemical editor, visualization, and analysis platform
Marcus D. Hanwell, Donald Curtis, David Lonie et al. · Journal of Cheminformatics · 2012 · 10.4K citations · Full text
PubChem Substance and Compound databases
Sunghwan Kim, Paul Thiessen, Evan Bolton et al. · Nucleic Acids Research · 2015 · 5.5K citations · Full text
Pharmacy, Biochemistry, Chemistry +16
Crystal structure of human serum albumin at 2.5 Å resolution
Shigetoshi Sugio, Akiko Kashima, Shota Mochizuki et al. · Protein Engineering Design and Selection · 1999 · 1.8K citations