Concepedia
Theoretical Chemistry Accounts · 2012 · 16 citations · 20 references
Life SciencesBioinformaticsMolecular BiologyDrug DiscoveryMutagenesis StrategiesSite-directed MutagenesisAlanine Scanning Mutagenesis
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VMD: Visual molecular dynamics
William Humphrey, Andrew Dalke, Klaus Schulten · Journal of Molecular Graphics · 1996 · 66.6K citations
Natural Sciences, Biophysics, Physics +12
A Second Generation Force Field for the Simulation of Proteins, Nucleic Acids, and Organic Molecules
Wendy D. Cornell, Piotr Cieplak, Christopher I. Bayly et al. · Journal of the American Chemical Society · 1995 · 13.1K citations
Natural Sciences, Biochemistry, Biophysics +17
Calculating Structures and Free Energies of Complex Molecules: Combining Molecular Mechanics and Continuum Models
Peter A. Kollman, Irina Massova, Carolina Reyes et al. · Accounts of Chemical Research · 2000 · 4.9K citations
Extending the Applicability of the Nonlinear Poisson−Boltzmann Equation: Multiple Dielectric Constants and Multivalent Ions
Walter Rocchia, Emil Alexov, Barry Honig · The Journal of Physical Chemistry B · 2001 · 829 citations
Natural Sciences, Chemistry, Physics +10
A simple physical model for binding energy hot spots in protein–protein complexes
Tanja Kortemme, David Baker · Proceedings of the National Academy of Sciences · 2002 · 826 citations
Life Sciences, Biochemistry, Biophysics +17