Concepedia
European Journal of Medicinal Chemistry · 2010 · 13 citations · 16 references
Medicinal ChemistryMedicinePharmacotherapyAnti-cancer AgentPotent InhibitorsDrug DevelopmentPharmacologyRadiation OncologyDrug DiscoveryDocking Experiments
16
Density-functional thermochemistry. III. The role of exact exchange
Axel D. Becke · The Journal of Chemical Physics · 1993 · 101.1K citations
Electron Density, Chemical Thermodynamics, Engineering +13
Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density
Chengteh Lee, Weitao Yang, Robert G. Parr · Physical review. B, Condensed matter · 1988 · 98.6K citations
Electron Density, Gradient Expansions, Engineering +14
Self-consistent molecular orbital methods. XX. A basis set for correlated wave functions
R. Krishnan, J. Stephen Binkley, Rolf Seeger et al. · The Journal of Chemical Physics · 1980 · 17.1K citations
SWISS‐MODEL and the Swiss‐Pdb Viewer: An environment for comparative protein modeling
Nicolas Guex, Manuel C. Peitsch · Electrophoresis · 1997 · 11.2K citations
Swiss‐pdb Viewer, Engineering, Structural Bioinformatics +18
Automated docking using a Lamarckian genetic algorithm and an empirical binding free energy function
Garrett M. Morris, David S. Goodsell, Robert S. Halliday et al. · Journal of Computational Chemistry · 1998 · 10.7K citations
Engineering, Molecular Biology, Computational Chemistry +22