Concepedia

Glossary of terms used in computational drug design (IUPAC Recommendations 1997)

R. E. Carter, Gérard Grassy, Hugo Kubinyi, Yvonne C. Martin, Peter Willett

Pure and Applied Chemistry · 1997 · 140 citations · 14 references

DOIFull text

Open access

Concepts

Abstract

Abstract

References

14

Comparative molecular field analysis (CoMFA). 1. Effect of shape on binding of steroids to carrier proteins

Richard D. Cramer, David E. Patterson, Jeffrey D. Bunce · Journal of the American Chemical Society · 1988 · 3.9K citations

, , +14

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

, , +6

A computational procedure for determining energetically favorable binding sites on biologically important macromolecules

P. J. Goodford · Journal of Medicinal Chemistry · 1985 · 2.6K citations

, , +17

<i>p</i>-σ-π Analysis. A Method for the Correlation of Biological Activity and Chemical Structure

Corwin Hansch, Toshio Fujita · Journal of the American Chemical Society · 1964 · 2.3K citations

, , +8

Ground states of molecules. XXV. MINDO/3. Improved version of the MINDO semiempirical SCF-MO method

Richard C. Bingham, Michael J. S. Dewar, Donald H. Lo · Journal of the American Chemical Society · 1975 · 1.6K citations

, , +10