Molecular surface comparison. 2. Similarity of electrostatic vector fields in drug design
- 30 June 1995
- journal article
- research article
- Published by Elsevier in Journal of Molecular Graphics
- Vol. 13 (3) , 165-174
- https://doi.org/10.1016/0263-7855(95)00015-x
Abstract
No abstract availableKeywords
This publication has 20 references indexed in Scilit:
- Molecular surface comparison: Application to drug designJournal of Molecular Graphics, 1993
- Charge calculations in molecular mechanics. IX. A general parameterisation of the scheme for saturated halogen, oxygen and nitrogen compoundsJournal of Computer-Aided Molecular Design, 1992
- Molecular recognition: optimized searching through rotational 3-space for pattern matches on molecular surfacesJournal of Molecular Graphics, 1987
- Atomic charges derived from electrostatic potentials: A detailed studyJournal of Computational Chemistry, 1987
- Molecular recognition: 3D surface structure comparison by gnomonic projectionJournal of Molecular Graphics, 1987
- Statistical method for surface pattern-matching between dissimilar molecules: electrostatic potentials and accessible surfacesJournal of Molecular Graphics, 1986
- CHARMM: A program for macromolecular energy, minimization, and dynamics calculationsJournal of Computational Chemistry, 1983
- AMBER: Assisted model building with energy refinement. A general program for modeling molecules and their interactionsJournal of Computational Chemistry, 1981
- Iterative partial equalization of orbital electronegativity—a rapid access to atomic chargesTetrahedron, 1980
- Molecular electrostatic potentials: Comparison of ab initio and CNDO resultsTheoretical Chemistry Accounts, 1972