The potential of Internet computing for drug discovery

Drug Discovery Today

Volumn 7, Issue 11, 2002, Pages S99-S103

  Davies, E Keith ^a   Richards, W Graham ^a  

^a UNIVERSITY OF OXFORD   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

PROTEIN; PROTEIN INHIBITOR;

ALGORITHM; CALCULATION; DRUG RESEARCH; INTERNET; INTRANET; MICROCOMPUTER; MOLECULAR BIOLOGY; PREDICTION; PROTEIN ANALYSIS; PROTEIN FOLDING; REVIEW; SCREENING; SIMULATION;

ALGORITHMS; COMPUTATIONAL BIOLOGY; COMPUTER SIMULATION; DRUG DISCOVERY; INTERNET;

EID: 0036606512     PISSN: 13596446     EISSN: None     Source Type: Journal    
DOI: 10.1016/S1359-6446(02)02218-3     Document Type: Review

References (13)

1. A geometric approach to macromolecule-ligand interactions
2. Distributed automated docking of flexible ligands to proteins: Parallel applications of AutoDock 2.4
3. Targeted molecular diversity in drug discovery: Integration of structure-based design and combinatorial chemistry
4. Multiple automatic base selection: Protein-ligand docking based on incremental construction without manual intervention
5. Design of Libraries to Explore Receptor Sites
6. FLOG: A system to select 'quasi-flexible' ligands complementary to a receptor of known three-dimensional structure
7. Computing for cancer research
8. Receptor-based virtual screening of very large chemical datasets
9. Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings
10. Empirical scoring functions. II. The testing of an empirical scoring function for the prediction of ligand-receptor binding affinities and the use of Bayesian regression to improve the quality of the model
11. Virtual screening - An overview
12. The emerging importance of predictive ADME simulation in drug discovery