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FABind+: Enhancing Molecular Docking through Improved Pocket Prediction and Pose Generation Authors: Kaiyuan Gao*, Qizhi Pei*, Gongbo Zhang, Jinhua Zhu, Kun He, Lijun Wu† FABFlex: Fast and Accurate Blind Flexible Docking Authors: Zizhuo Zhang, Lijun Wu†, Kaiyuan Gao, Jiangchao Yao, Tao...
eHiTS is an exhaustive flexible-docking method that systematically covers the part of the conformational and positional search space that avoids severe steric clashes, producing highly accurate docking poses at a speed practical for virtual high-throughput screening. The customizable scoring function of ...
Fast and Flexible Geometric Method For Enhancing MC Sampling of Compact Config- urations For Protein Docking Problem. ArXiv e-prints (Aug. 2014).A. Ozkan, J. C. Flores-Canales, M. Sitharam, and M. Kurnikova. Fast and Flexible Geometric Method For Enhancing MC Sampling of Compact ...
Hammerhead : fast , fully automated protein binding sites docking of flexible ligands toWelch, WilliamRuppert, JimJain, Ajay N
Morley SD, Afshar M (2004) Validation of an empirical RNA-ligand scoring function for fast flexible docking using ribodock . J Comput Aided Mol Des 18 : 189–208Morley SD, Afshar M. 2004. Validation of an empirical RNA-ligand scoring function for fast flexible docking using RiboDock. J. ...
Development of filter functions for protein-ligand docking-fast, fully automated docking of flexible ligands to protein binding - Stahl, Bohm - 1998 () Citation Context ...entially actives are its key attributes. One of the emerging problems in virtual screening is what criteria should one use,...
eHiTS is an exhaustive flexible-docking method that systematically covers the part of the conformational and positional search space that avoids severe steric clashes, producing highly accurate docking poses at a speed practical for virtual high-throughput screening. The customizable scoring function of ...