Atomic physicochemical parameters for three dimensional structure directed quantitative structure‐activity relationships III: Modeling hydrophobic interactions
- 1 January 1988
- journal article
- research article
- Published by Wiley in Journal of Computational Chemistry
- Vol. 9 (1), 80-90
- https://doi.org/10.1002/jcc.540090111
Abstract
No abstract availableKeywords
This publication has 11 references indexed in Scilit:
- Atomic physicochemical parameters for three-dimensional-structure-directed quantitative structure-activity relationships. 2. Modeling dispersive and hydrophobic interactionsJournal of Chemical Information and Computer Sciences, 1987
- Structures of Two Thermolysin-Inhibitor Complexes That Differ by a Single Hydrogen BondScience, 1987
- Calculation of the Relative Change in Binding Free Energy of a Protein-Inhibitor ComplexScience, 1987
- Atomic Physicochemical Parameters for Three‐Dimensional Structure‐Directed Quantitative Structure‐Activity Relationships I. Partition Coefficients as a Measure of HydrophobicityJournal of Computational Chemistry, 1986
- An all atom force field for simulations of proteins and nucleic acidsJournal of Computational Chemistry, 1986
- Theory of Hydrophobic EffectsAnnual Review of Physical Chemistry, 1985
- Solubility Properties in Polymers and Biological Media 5: An Analysis of the Physicochemical Properties Which Influence Octanol–Water Partition Coefficients of Aliphatic and Aromatic SolutesJournal of Pharmaceutical Sciences, 1985
- Use of physicochemical parameters in distance geometry and related three-dimensional quantitative structure-activity relationships: A demonstration using Escherichia coli dihydrofolate reductase inhibitorsJournal of Medicinal Chemistry, 1985
- CHARMM: A program for macromolecular energy, minimization, and dynamics calculationsJournal of Computational Chemistry, 1983
- Hydrophobic InteractionsPublished by Springer Nature ,1980