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GLIMPSED: An Improved Docking Protocol for Cognate Docking
Molecular Informatics, 2016AbstractThe cognate docking performance of Glide was evaluated using the Astex diverse set. The standard Glide SP protocol obtained a 85.7 % success rate when the shape similarity cutoff was set to 0.625. The analysis of docking failures pointed out that, when the SiteMap binding site exposure is less than 0.491, 51 out of 52 ligands are correctly ...
Anna Maria Capelli +2 more
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MolDock: a new technique for high-accuracy molecular docking.
Journal of Medicinal Chemistry, 2006In this article we introduce a molecular docking algorithm called MolDock. MolDock is based on a new heuristic search algorithm that combines differential evolution with a cavity prediction algorithm.
R. Thomsen, M. H. Christensen
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Nature, 1989
The Galileo Affair: A Documentary History. By Maurice A. Finocchiaro. University of California Press: 1989. Pp.382. Hbk $50, £31.25; pbk $12.95, £8.Sidereus Nunclus or the Sidereal Messenger. By Galileo Galilei. Translated with introduction, conclusion and notes by Albert Van Helden. University of Chicago Press: 1989. Pp.127. Hbk $29.95, £19.25; pbk $7.
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The Galileo Affair: A Documentary History. By Maurice A. Finocchiaro. University of California Press: 1989. Pp.382. Hbk $50, £31.25; pbk $12.95, £8.Sidereus Nunclus or the Sidereal Messenger. By Galileo Galilei. Translated with introduction, conclusion and notes by Albert Van Helden. University of Chicago Press: 1989. Pp.127. Hbk $29.95, £19.25; pbk $7.
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Evaluation of Docking Functions for Protein−Ligand Docking
Journal of Medicinal Chemistry, 2001Docking functions are believed to be the essential component of docking algorithms. Both physically and statistically based functions have been proposed, but there is no consensus about their relative performances. Here, we propose an evaluation approach based on exhaustive enumeration of all possible docking solutions obtained with a discretized ...
Carlos Miguel Becerril Pérez +1 more
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A fast flexible docking method using an incremental construction algorithm.
Journal of Molecular Biology, 1996We present an automatic method for docking organic ligands into protein binding sites. The method can be used in the design process of specific protein ligands.
M. Rarey +3 more
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1991
The dockers’ 1989 decision to strike is not regarded as a serious threat to the national economy. There was a time when it would have been. For example, extended unofficial strike action in 1967, when Harold Wilson’s Labour government was in power, contributed to the decision to devalue the pound by 14 per cent.
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The dockers’ 1989 decision to strike is not regarded as a serious threat to the national economy. There was a time when it would have been. For example, extended unofficial strike action in 1967, when Harold Wilson’s Labour government was in power, contributed to the decision to devalue the pound by 14 per cent.
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Homology Models in Docking and High-Throughput Docking
Current Topics in Medicinal Chemistry, 2011The use of homology models in docking-based drug discovery is already established, and provides an effective and computationally affordable alternative whenever experimental structures are not available. Recent methodological studies have confirmed and benchmarked the feasibility of using structural models in docking. However, more accurate methods are
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Efficient and accurate large library ligand docking with KarmaDock
Nature Computational Science, 2023Xujun Zhang +18 more
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