'Company Overview of OpenEye Scientific Software, Inc'.'Downloads and Upgrades: AFITT 2.3, GenBank 197.0, and the Protein Databank'.See also Other institutions developing software for computational chemistry References Zap TK - An efficient Poisson-Boltzmannelectrostatics solver.Szykbi TK - Generalized function optimization, e.g.Szmap TK - Water interactions in the binding site.Spicoli TK - Rapid molecular surface generation and manipulation.Shape TK - Molecular shape comparisons based on 3D overlays.
MolProp TK - 2D molecular property calculation and filtering.Lexichem TK - State-of-the-art compound name and structure interconversion with support for multiple languages.GraphSim TK - 2D molecular fingerprints and similarity calculations.Grapheme TK - Advanced structure rendering of compounds.OEDepict TK - Elegant 2D structure rendering of compounds.OEChem TK - Cheminformatics and 3D molecular data handling.Programming libraries providing other applications with object-oriented accessibility to a given set of capabilities. VIDA - Graphical user interface that visualizes, analyzes and manages corporate collections of molecular structures and information.SZYBKI - Fast forcefield optimization of ligands in gas-phase, solution, or within a protein active site.SZMAP - Identify water sites in a protein binding site for improving ligand potency.ROCS - Chemical similarity analysis via rapid 3D molecular shape searches.
QUACPAC - Tautomers, protonation states and charges for small molecules and proteins.pKa Prospector - A database of high quality pKa measurements.OMEGA - Fast, accurate conformer generation, for linear and macrocyclic molecules.OEDocking - Molecular docking tools including FRED (fast docking), HYBRID (ligand guided docking) and POSIT (ligand guided pose prediction).
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