Document 0474 DOCN M9460474 TI Solution structure of HIV-1 protease-allophenylnorstatine derivative inhibitor complex obtained from molecular dynamics simulation. DT 9404 AU Kato R; Takahashi O; Kiso Y; Moriguchi I; Hirono S; School of Pharmaceutical Sciences, Kitasato University, Tokyo,; Japan. SO Chem Pharm Bull (Tokyo). 1994 Jan;42(1):176-8. Unique Identifier : AIDSLINE MED/94170431 AB Structures of two enzyme-inhibitor complexes of human immunodeficiency virus-1 protease with allophenylnorstatine derivatives were obtained from molecular dynamics simulation in aqueous solution. The stronger inhibitor gave considerably smaller fluctuation at P3 site, which formed hydrogen bonding with the enzyme flap region. DE Human HIV Protease Inhibitors/*CHEMISTRY Isoquinolines/CHEMISTRY Models, Chemical Oligopeptides/CHEMISTRY Quinolines/CHEMISTRY Solutions JOURNAL ARTICLE SOURCE: National Library of Medicine. NOTICE: This material may be protected by Copyright Law (Title 17, U.S.Code).