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AutoSite: an automated approach for pseudo-ligands prediction - from ligand-binding sites identification to predicting key ligand atoms.

, and . Bioinform., 32 (20): 3142-3149 (2016)

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uPy: A Ubiquitous CG Python API with Biological-Modeling Applications., , , , and . IEEE Computer Graphics and Applications, 32 (5): 50-61 (2012)Services Oriented Architecture for Managing Workflows of Avian Flu Grid., , , , , , , , and . eScience, page 582-589. IEEE Computer Society, (2008)Lattice modeling: Accuracy of energy calculations., , , and . J. Comput. Chem., 17 (8): 1025-1032 (1996)GEOM: A new tool for molecular modelling based on distance geometry calculations with NMR data., , , and . J. Comput. Aided Mol. Des., 3 (3): 195-210 (1989)Integrating Computation and Visualization for Biomolecular Analysis: An Example Using Python and AVS., , , and . Pacific Symposium on Biocomputing, page 401-412. (1999)AutoDock CrankPep: combining folding and docking to predict protein-peptide complexes., and . Bioinform., 35 (24): 5121-5127 (2019)AutoDockFR: Advances in Protein-Ligand Docking with Explicitly Specified Binding Site Flexibility., , , , and . PLoS Comput. Biol., (2015)Role of Haptics in Teaching Structural Molecular Biolog., , , , and . HAPTICS, page 363-366. IEEE Computer Society, (2003)Fast and Robust Computation of Molecular Surfaces., , and . Symposium on Computational Geometry, page C6-C7. ACM, (1995)AutoDock4 and AutoDockTools4: Automated docking with selective receptor flexibility., , , , , , and . J. Comput. Chem., 30 (16): 2785-2791 (2009)