SIMULATION OF ENZYME-SUBSTRATE INTERACTIONS - THE DIFFUSIONAL ENCOUNTER STEP

Authors
WADE RC
Citation
Rc. Wade, SIMULATION OF ENZYME-SUBSTRATE INTERACTIONS - THE DIFFUSIONAL ENCOUNTER STEP, Acta Biochimica Polonica, 42(4), 1995, pp. 419-425
Citations number
39
Categorie Soggetti
Biology
Journal title
Acta Biochimica Polonica → ACNP
ISSN journal
0001527X
Volume
42
Issue
4
Year of publication
1995
Pages
419 - 425
Database
ISI
SICI code
0001-527X(1995)42:4<419:SOEI-T>2.0.ZU;2-L
Abstract
Enzymes are targets for structure-based redesign and drug design. One potentially important design strategy is to create molecules - enzymes and ligands - with desired diffusional encounter properties. Rates of diffusive bimolecular encounter can be calculated by Brownian dynamic s simulation. This methodology and its application to study the factor s influencing the rates of diffusion-influenced enzymes are described here.