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Home > Rational Drug Design > Panel Discussion: Important Current Problems in Drug Design that may be Computationally Tractable
Rational Drug Design |
Donald G. Truhlar; W. Jeffrey Howe; Anthony J. Hopfinger; Jeff Blaney; Richard E. Dammkoehler
Springer New York
Rational Drug Design
Panel Discussion: Important Current Problems in Drug Design that may be Computationally Tractable
Authors

Dave Doherty; Bill Dunn; Graham Richards; Doug Rohrer; A. J. Hopfinger; W. J. Howe

ARI Id

1664226508892_834735

Access

Not Available Free

Pages

1-6

DOI

10.1007/978-1-4612-1480-9_1

Chapter URL

https://rd.springer.com/chapter/10.1007/978-1-4612-1480-9_1

Table of Contents of Book
Showing 1 to 16 of 16 entries
Chapters/HeadingsAuthor(s)PagesInfo
Front Matter
i-xii
Panel Discussion: Important Current Problems in Drug Design that may be Computationally Tractable
Dave Doherty; Bill Dunn; Graham Richards; Doug Rohrer; A. J. Hopfinger; W. J. Howe
1-6
Panel Discussion: New Problems that Should be Addressed in the Next Ten Years
Gordon Crippen; Simon Kearsley; Garland Marshall; Phil Portoghese; Jeff Blaney
7-9
Matching of Chemical and Biological Structures Using Subgraph and Maximal Common Subgraph Isomorphism Algorithms
Peter Willett
11-38
Molecular Similarity
W. Graham Richards; Daniel D. Robinson
39-49
Modeling The Effect of Solvation on Structure, Reactivity, and Partitioning of Organic Solutes: Utility in Drug Design
Candee C. Chambers; David J. Giesen; Gregory D. Hawkins; Christopher J. Cramer; Donald G. Truhlar; Wouter H. J. Vaes
51-72
Cell-Based Methods for Sampling in High-Dimensional Spaces
Jason A. Rush
73-79
A Preliminary Multiobjective Analysis of the Chemotherapeutic Benefits of Hairpin-Linked Polyamides
Wynn L. Walker; David S. Goodsell; Richard E. Dickerson; Elliot M. Landaw
81-92
Using Structural Information for the Creative Design of Molecules
Colin McMartin; Regine S. Bohacek
93-101
Growmol, A De novo Computer Program, and its Application to Thermolysin and Pepsin: Results of the Design and Synthesis of a Novel Inhibitor
Regine Bohacek; Colin Mcmartin; Peter Glunz; Daniel H. Rich
103-114
Deducing Objective Site Models by Mixed Integer Programming
Gordon M. Crippen
115-126
Molecular Dynamics Information Extraction
Dennis Sprous; Weidong Wang; Ganesan Ravishanker; Matthew A. Young; David L. Beveridge
127-147
Ionic Charging Free Energies Using Ewald Summation
Tom Darden
149-161
Genetic Function Approximation: Evolutionary Construction of Novel, Interpretable, Nonlinear Models of Experimental Data
David Rogers
163-189
Applications of Distributed Computing to Conformational Searches
Brian T. Luke
191-206
Back Matter
207-213
Chapters/HeadingsAuthor(s)PagesInfo
Showing 1 to 16 of 16 entries
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