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Application

Discovery Studio 1.0 Materials Studio 0.804945054945055 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.07114624505928854 Amorphous Cell 0.23847167325428195 Blends 0.003513394817742644 CASTEP 0.4189723320158103 CDOCKER 0.19982433025911286 CHARMm 0.32762406675450156 COMPASS 0.3706631532718489 COMPASS III 0.03908651734738691 COSMObase 0.0 COSMOconf 0.0 COSMOmic 4.391743522178305E-4 COSMOperm 0.0013175230566534915 COSMOplex 0.0 COSMOquick 8.78348704435661E-4 COSMOtherm 0.04962670180061485 Catalyst 0.12121212121212122 Classical Simulations 1.0 Conformers 0.001756697408871322 Crystallization 0.07992973210364515 DFTB Plus 0.003952569169960474 DMol3 0.19543258673693456 DPD 0.003513394817742644 Discover 0.004391743522178305 Forcite 0.4830917874396135 GULP 0.029424681598594644 Kinetix 0.0 LUDI 0.003952569169960474 LibDock 0.08519982433025912 LigandFit 0.006148440931049627 MCSS 0.0013175230566534915 MODELER 0.3008344312692139 MesoDyn 0.002635046113306983 Mesocite 0.004830917874396135 Mesoscale 0.010101010101010102 Morphology 0.015371102327624066 ONETEP 8.78348704435661E-4 Polymorph 8.78348704435661E-4 QMERA 0.0 QSAR 4.391743522178305E-4 Quantum Mechanics 0.6021080368906456 Reflex 0.06280193236714976 Semi-empirical 0.006587615283267457 Sorption 0.0461133069828722 Synthia 4.391743522178305E-4 TURBOMOLE 4.391743522178305E-4 VAMP 0.001756697408871322 Visualization 0.9046991655687308 X-Cell 0.0 ZDOCK 0.03469477382520861

Year

2024 0.0

Keywords

target 1.0 potential 0.3002400548696845 docking 0.2536008230452675 analysis 0.2001028806584362 visualization 0.19787379972565158 between 0.15380658436213993 novel 0.10922496570644719 binding 0.0889917695473251 activity 0.0680727023319616 energy 0.06481481481481481 promising 0.051954732510288065 interaction 0.049039780521262004 cell 0.04029492455418381 protein 0.03892318244170096 effective 0.028978052126200273 synthesized 0.02880658436213992 stability 0.026748971193415638 synthesis 0.02606310013717421 mechanism 0.022119341563786008 development 0.01954732510288066 experimental 0.017661179698216737 including 0.015260631001371741 compound 0.0063443072702331965 vitro 0.006172839506172839 well 0.0
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