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Sampling and refinement protocols for template-based macrocycle docking: 2018 D3R Grand Challenge 4.

, , , , , , , , , and . J. Comput. Aided Mol. Des., 34 (2): 179-189 (2020)

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Optimization on the space of rigid and flexible motions: An alternative manifold optimization approach., , , , , and . CDC, page 5825-5830. IEEE, (2014)ClusPro PeptiDock: efficient global docking of peptide recognition motifs using FFT., , , , , , and . Bioinform., 33 (20): 3299-3301 (2017)Clustering versus Scoring for the Identification of Near-Native Poses in Protein-Ligand Docking., , and . BIOCOMP, page 1028-1032. CSREA Press, (2008)Detection of ligand binding hot spots on protein surfaces via fragment-based methods: application to DJ-1 and glucocerebrosidase., , , , , , , , , and 3 other author(s). J. Comput. Aided Mol. Des., 23 (8): 491-500 (2009)Flexible refinement of protein-ligand docking on manifolds., , , , , , , and . CDC, page 1392-1397. IEEE, (2013)A new approach to rigid body minimization with application to molecular docking., , , , , and . CDC, page 2983-2988. IEEE, (2012)Evidence of Conformational Selection Driving the Formation of Ligand Binding Sites in Protein-Protein Interfaces., , and . PLoS Comput. Biol., (2014)Numerically stable algorithm for Inverse Kinematics of 6R problem and its applications to macrocycles., , , , , and . BCB, page 84:1. ACM, (2023)Hot Spot Analysis for Driving the Development of Hits into Leads in Fragment-Based Drug Discovery., , , , and . Journal of Chemical Information and Modeling, 52 (1): 199-209 (2012)Fragment-based identification of druggable 'hot spots' of proteins using Fourier domain correlation techniques., , , , , , , and . Bioinform., 25 (5): 621-627 (2009)