Journal of Molecular Graphics and Modelling · 2008 · 22 citations · 52 references
Life SciencesBiochemistryMedicinal ChemistryEnzyme MechanismEnzymologyMicrobial MetabolismEnzyme InhibitionEnzyme KineticsNicotinamide Adenine Dinucleotide MetabolismPulmonary TuberculosisActive Site AnalysisMycobacterium Tuberculosis InfectionMycobacterium Tuberculosis PathogenesisNad+-dependent Enzymes
52
Density-functional thermochemistry. III. The role of exact exchange
Axel D. Becke · The Journal of Chemical Physics · 1993 · 102.8K citations
Natural Sciences, Chemistry, Physics +13
VMD: Visual molecular dynamics
William Humphrey, Andrew Dalke, Klaus Schulten · Journal of Molecular Graphics · 1996 · 66.6K citations
A smooth particle mesh Ewald method
Ulrich Essmann, L. Perera, Max L. Berkowitz et al. · The Journal of Chemical Physics · 1995 · 22.9K citations