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CONFLEX permits fast, accurate, automated conformational search and crystal structure calculation and search, which is useful for drug discovery, chemical engineering, material design, etc. - Conformational Space Search - Normal vibrational analysis - Crystal structure calculation and search - Crystal Surface Analysis - Solvent effect - Work with Gaussian - Dynamic Reaction Coordinate (DRC) - Host-Ligand Coordination search - CD/UV/Vis Spectrum - NMR coupling constant analysis - Parameter Configuration - Amino acid substitution
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