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• W2024331611 startingPage "175" @default.
• W2024331611 abstract "Fueled by advances in molecular structure determination, tools for structure-based drug design are proliferating rapidly. Lead discovery through searching of ligand databases with molecular docking techniques represents an attractive alternative to high-throughout random screening. The size of commercial databases imposes severe computational constraints on molecular docking, compromising the level of calculational detail permitted for each putative ligand. We describe alternative philosophies for docking which effectively address this challenge. With respect to the dynamic aspects of molecular recognition, these strategies lie along a spectrum of models bounded by the Lock-and-Key and Induced-Fit theories for ligand binding. We explore the potential of a rigid model in exploiting species specificity and of a tolerant model in predicting absolute ligand binding affinity. Current molecular docking methods are limited primarily by their ability to rank docked complexes; we therefore place particular emphasis on this aspect of the problem throughout our validation of docking strategies." @default.
• W2024331611 created "2016-06-24" @default.
• W2024331611 creator A5029415379 @default.
• W2024331611 creator A5059465522 @default.
• W2024331611 creator A5079858895 @default.
• W2024331611 date "1996-03-01" @default.
• W2024331611 modified "2023-10-06" @default.
• W2024331611 title "Molecular docking towards drug discovery" @default.
• W2024331611 cites W1526151739 @default.
• W2024331611 cites W1573009101 @default.
• W2024331611 cites W1584189892 @default.
• W2024331611 cites W1650631537 @default.
• W2024331611 cites W1910371145 @default.
• W2024331611 cites W1966041739 @default.
• W2024331611 cites W1968094550 @default.
• W2024331611 cites W1970379663 @default.
• W2024331611 cites W1970658820 @default.
• W2024331611 cites W1971251199 @default.
• W2024331611 cites W1971409743 @default.
• W2024331611 cites W1971563309 @default.
• W2024331611 cites W1971570097 @default.
• W2024331611 cites W1973191530 @default.
• W2024331611 cites W1973886026 @default.
• W2024331611 cites W1974173455 @default.
• W2024331611 cites W1974977468 @default.
• W2024331611 cites W1982176049 @default.
• W2024331611 cites W1986671430 @default.
• W2024331611 cites W1987205862 @default.
• W2024331611 cites W1990806874 @default.
• W2024331611 cites W1992787746 @default.
• W2024331611 cites W1993418211 @default.
• W2024331611 cites W1995161323 @default.
• W2024331611 cites W1997388207 @default.
• W2024331611 cites W1998791246 @default.
• W2024331611 cites W1999968212 @default.
• W2024331611 cites W2000383223 @default.
• W2024331611 cites W2004102775 @default.
• W2024331611 cites W2010004274 @default.
• W2024331611 cites W2011109781 @default.
• W2024331611 cites W2012667948 @default.
• W2024331611 cites W2014820595 @default.
• W2024331611 cites W2015518146 @default.
• W2024331611 cites W2016190213 @default.
• W2024331611 cites W2019178197 @default.
• W2024331611 cites W2021293112 @default.
• W2024331611 cites W2021411698 @default.
• W2024331611 cites W2022284509 @default.
• W2024331611 cites W2023940675 @default.
• W2024331611 cites W2027563386 @default.
• W2024331611 cites W2027640169 @default.
• W2024331611 cites W2027978582 @default.
• W2024331611 cites W2038678667 @default.
• W2024331611 cites W2040086703 @default.
• W2024331611 cites W2043000057 @default.
• W2024331611 cites W2045851692 @default.
• W2024331611 cites W2046639437 @default.
• W2024331611 cites W2047174875 @default.
• W2024331611 cites W2048411243 @default.
• W2024331611 cites W2049219987 @default.
• W2024331611 cites W2050159278 @default.
• W2024331611 cites W2051531023 @default.
• W2024331611 cites W2052906698 @default.
• W2024331611 cites W2055577518 @default.
• W2024331611 cites W2056034415 @default.
• W2024331611 cites W2059864723 @default.
• W2024331611 cites W2059973953 @default.
• W2024331611 cites W2062029510 @default.
• W2024331611 cites W2063831812 @default.
• W2024331611 cites W2063908367 @default.
• W2024331611 cites W2066603657 @default.
• W2024331611 cites W2066787645 @default.
• W2024331611 cites W2067455153 @default.
• W2024331611 cites W2067872997 @default.
• W2024331611 cites W2073082810 @default.
• W2024331611 cites W2074267393 @default.
• W2024331611 cites W2076018528 @default.
• W2024331611 cites W2081394767 @default.
• W2024331611 cites W2082040139 @default.
• W2024331611 cites W2087876594 @default.
• W2024331611 cites W2091632754 @default.
• W2024331611 cites W2092002806 @default.
• W2024331611 cites W2095859959 @default.
• W2024331611 cites W2098208486 @default.
• W2024331611 cites W2102697248 @default.
• W2024331611 cites W2108508060 @default.
• W2024331611 cites W2110068553 @default.
• W2024331611 cites W2112903372 @default.
• W2024331611 cites W2113098684 @default.
• W2024331611 cites W2113424187 @default.
• W2024331611 cites W2116441099 @default.
• W2024331611 cites W2125803267 @default.
• W2024331611 cites W2130286824 @default.
• W2024331611 cites W2132709044 @default.
• W2024331611 cites W2134334341 @default.
• W2024331611 cites W2136241503 @default.
• W2024331611 cites W2142854302 @default.
• W2024331611 cites W2143154863 @default.
• W2024331611 cites W2163910647 @default.

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