Rational drug design : novel methodology and practical applications /
| Corporate Authors: | , |
|---|---|
| Other Authors: | , |
| Format: | Book |
| Language: | English |
| Published: |
Washington, DC :
American Chemical Society,
[1999]
|
| Series: | ACS symposium series ;
719. |
| Subjects: |
Table of Contents:
- Overview of rational drug design / M. Rami Reddy, Abby L. Parrill
- Conformational and energetic aspects of receptor-ligand recognition / J.D. Hirst ... [et al.]
- New free energy calculation methods for structure-based drug design and prediction of protein stability / Lu Wang ... [et al.]
- Binding evaluation using the finite difference solution to the linearized Poisson-Boltzmann equation and solvation entropy correction / Jian Shen
- SmoG: a ligand design method based on knowledge-based parametrization of a solvent reorganization model / Robert S. DeWitte, Eugene I. Shakhnovich
- The evaluation of multi-body dynamics for studying ligand-protein interactions: using MBO(N)D to probe the unbinding pathways of Cbz-Val-Phe-Phe-Val-Cbz from the active site of HIV-1protease / Donovan N. Chin ... [et al.]
- Calculation of relative hydration free energy differences for heteroaromatic compounds: use in the design of AMP deaminase inhibitors / Mark D. Erion, M. Rami Reddy
- New tools for rational drug design / Gregory D. Hawkins ... [et al.]
- Rational approaches to inhibition of human osteoclast cathepsin K and treatment of osteoporosis / Sherin S. Abdel-Meguid ... [et al.]
- Building a hypothesis for nucleotide transport inhibitors / K. Raghavan, Scott D. Kahn, John K. Buolamwini
- Unified pharmacophoric model for cannabinoids and aminoalkylindoles derived from molecular superimposition of CB₁ cannabinoid receptor agonists CP55244 and WIN55212-2 / Joong-Youn Shim ... [et al.]
- Structure-based design of novel conformationally restricted HIV protease inhibitors / B.G. Rao ... [et al.]
- "New tricks for an old dog": development and application of novel QSAR methods for rational design of combinatorial chemical libraries and database mining / A. Tropsha, S.J. Cho, W. Zheng
- Molecular hologram QSAR / Trevor W. Heritage, David R. Lowis
- Adapting structure-based drug design in the paradigm of combinatorial chemistry and high-throughput screening: an overview and new examples with important caveats for newcomers to combinatorial library design using pharmacophore models or multiple copy simultaneous search fragments / Arup K. Ghose, Vellarkad N. Viswanadhan, John J. Wendoloski
- The basic shape topology of protein interfaces / John Lawton, Melanie Tudor, W. Todd Wipke
- Evolutionary algorithms in computer-aided molecular design: a review of current applications and a look to the future / David E. Clark
- Further development of a genetic algorithm for ligand docking and its application to screening combinatorial libraries / Gareth Jones ... [et al.]
- Reduced dimensionality in ligand-protein structure prediction: covalent inhibitors of serine proteases and design of site-directed combinatorial libraries / Daniel K. Gehlhaar, Djamal Bouzida, Paul A. Rejto
- Development and validation of the EVA descriptor for QSAR studies / David B. Turner ... [et al.]
- PRO_ANALOG: automated analog building according to principles of medicinal chemistry / Richard G.A. Bone ... [et al.]
- Is rational design good for anything? / Donald B. Boyd.