A rational approach is needed to maximize the chances of finding new drugs, and to exploit the opportunities of potential new drug targets emerging from genomic and proteomic initiatives, and from the large libraries of small compounds now readily available through combinatorial chemistry. Despite a
β¦ LIBER β¦
Molecular dynamics simulations: a tool for drug design
β Scribed by Didier Rognan
- Book ID
- 111568334
- Publisher
- Springer
- Year
- 1998
- Tongue
- English
- Weight
- 509 KB
- Volume
- 9/11
- Category
- Article
- ISSN
- 0928-2866
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## Abstract To test the anticorrelated relationship that was recently displayed in conventional molecular dynamics (MD) simulations, several different restrained MD simulations on a wild type and on the V82F/I84V drugβresistant mutant of HIVβ1 protease were performed. This anticorrelated relationsh