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Molecular complexes at a glance: automated generation of two-dimensional complex diagrams., , и . Bioinform., 22 (14): 1710-1716 (2006)Database and Workflow Optimizations for Spatial-Geometric Queries in GeoMine., , , , и . LWDA, том 3630 из CEUR Workshop Proceedings, стр. 86-97. CEUR-WS.org, (2023)PoseEdit: enhanced ligand binding mode communication by interactive 2D diagrams., , , и . J. Comput. Aided Mol. Des., 37 (10): 491-503 (октября 2023)Multiple automatic base selection: Protein-ligand docking based on incremental construction without manual intervention., , и . J. Comput. Aided Mol. Des., 11 (4): 369-384 (1997)From greedy to branch & bound and back: Assessing optimization strategies for incremental construction molecular docking tools., и . German Conference on Bioinformatics, том P-71 из LNI, стр. 119-130. GI, (2005)LSLOpt: An open-source implementation of the step-length controlled LSL-BFGS algorithm., и . J. Comput. Chem., 42 (15): 1095-1100 (2021)Shape-Based Descriptors for Efficient Structure-Based Fragment Growing., , , , , , и . J. Chem. Inf. Model., 60 (12): 6269-6281 (2020)On the Art of Compiling and Using 'Drug-Like' Chemical Fragment Spaces, , , и . ChemMedChem, 3 (10): 1503--1507 (2008)Fast automated placement of polar hydrogen atoms in protein-ligand complexes., и . J. Cheminformatics, (2009)Placement of medium-sized molecular fragments into active sites of proteins., , и . J. Comput. Aided Mol. Des., 10 (1): 41-54 (1996)