Concepedia
Bioorganic & Medicinal Chemistry Letters · 2001 · 25 citations · 12 references
Life SciencesBiochemistryPharmacologyEnzymologyMolecular PharmacologyEnzyme InhibitionProteolytic EnzymesProteolytic ProcessingProtease InhibitionProtease InhibitorsRegulation By Serine Protease InhibitorsSerine Protease Mechanism
12
Merck molecular force field. I. Basis, form, scope, parameterization, and performance of MMFF94
Thomas A. Halgren · Journal of Computational Chemistry · 1996 · 5.3K citations
Natural Sciences, Biophysics, Computational Chemistry +12
Macromodel—an integrated software system for modeling organic and bioorganic molecules using molecular mechanics
F. MOHAMADI, Nigel G. J. Richards, Wayne C. Guida et al. · Journal of Computational Chemistry · 1990 · 3.8K citations
Natural Sciences, Chemistry, Biomolecular Modeling +13
Conformational analysis. 130. MM2. A hydrocarbon force field utilizing V1 and V2 torsional terms
Norman L. Allinger · Journal of the American Chemical Society · 1977 · 3.6K citations
Natural Sciences, Chemistry, Analytical Chemistry +6
The GB/SA Continuum Model for Solvation. A Fast Analytical Method for the Calculation of Approximate Born Radii
Di Qiu, Peter S. Shenkin, Frank P. Hollinger et al. · The Journal of Physical Chemistry A · 1997 · 969 citations
Natural Sciences, Chemistry, Physics +15
Hammerhead: fast, fully automated docking of flexible ligands to protein binding sites
William H. Welch, Jim Ruppert, Ajay N. Jain · Chemistry & Biology · 1996 · 363 citations · Full text
Life Sciences, Bioinformatics, Medicinal Chemistry +12