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Application

Discovery Studio 1.0 Materials Studio 0.5451977401129944 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.0742417383431417 Amorphous Cell 0.1797193300135808 Blends 9.053870529651426E-4 CASTEP 0.3766410140334993 CDOCKER 0.19284744228157538 CHARMm 0.34585785423268445 COMPASS 0.23268447261204164 COMPASS III 0.04843820733363513 COSMObase 0.002716161158895428 COSMOconf 0.003168854685377999 COSMOmic 0.0 COSMOperm 9.053870529651426E-4 COSMOquick 0.0 COSMOtherm 0.0552286102308737 Catalyst 0.11588954277953825 Classical Simulations 0.8207333635129017 Conformers 4.526935264825713E-4 Crystallization 0.03123585332729742 DFTB Plus 0.004979628791308284 DMol3 0.13309189678587596 DPD 9.053870529651426E-4 Discover 0.001358080579447714 Forcite 0.32956088727931193 GULP 0.01765504753282028 Kinetix 0.0 LUDI 0.004979628791308284 LibDock 0.09099139882299682 LigandFit 0.0018107741059302852 MODELER 0.33816206428248075 MesoDyn 0.0 Mesocite 0.0022634676324128564 Mesoscale 0.003168854685377999 Modules 0.0 Morphology 0.008148483476686284 Polymorph 9.053870529651426E-4 QMERA 0.0 QSAR 0.0018107741059302852 Quantum Mechanics 0.4993209597102761 Reflex 0.019918515165233137 Reflex Plus 4.526935264825713E-4 Semi-empirical 0.005885015844273427 Sorption 0.029425079221367133 Synthia 0.0 VAMP 0.0 Visualization 1.0 X-Cell 0.0018107741059302852 ZDOCK 0.03168854685377999

Year

2023 0.16968477531857815 2024 0.6787391012743126 2025 1.0 2026 0.2961099932930919 2027 0.0

Keywords

analysis 1.0 target 0.924644727000748 potential 0.40220643231114434 docking 0.38032909498878087 visualization 0.22157816005983547 between 0.13930441286462228 binding 0.13612565445026178 novel 0.07460732984293193 promising 0.06488406881077038 activity 0.060209424083769635 stability 0.05609573672400898 protein 0.053103964098728494 including 0.05011219147344802 interaction 0.04842931937172775 energy 0.037584143605086016 silico 0.02524308152580404 therapeutic 0.02112939416604338 mechanism 0.008601346297681375 strong 0.008040388930441287 experimental 0.0033657442034405387 vitro 0.0029917726252804786 treatment 0.0018698578908002991 effective 7.479431563201197E-4 cell 1.8698578908002991E-4 compound 0.0
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