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Application

Discovery Studio 1.0 Materials Studio 0.14064765587240213 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.0136986301369863 Amorphous Cell 0.02562969509500663 CASTEP 0.07733097657976137 CDOCKER 0.2540874944763588 CHARMm 0.32920901458241275 COMPASS 0.04197967300044189 COMPASS III 0.014582412726469289 COSMObase 0.0013256738842244808 COSMOconf 0.0017675651789659744 COSMOtherm 0.020326999558108707 Catalyst 0.1780821917808219 Classical Simulations 0.42686699072028284 Conformers 0.0 Crystallization 0.016349977905435263 DMol3 0.08440123729562528 DPD 0.0 Discover 0.0 Forcite 0.068935041979673 GULP 0.0017675651789659744 LUDI 0.002209456473707468 LibDock 0.10119310649580203 LigandFit 0.007512152010605391 MCSS 4.418912947414936E-4 MODELER 0.2571807335395493 Mesocite 4.418912947414936E-4 Mesoscale 4.418912947414936E-4 Morphology 0.0017675651789659744 QMERA 4.418912947414936E-4 QSAR 4.418912947414936E-4 Quantum Mechanics 0.1581970835174547 Reflex 0.014582412726469289 Semi-empirical 8.837825894829872E-4 Sorption 0.003977021652673442 VAMP 0.0 Visualization 1.0 ZDOCK 0.032699955810870526

Year

2022 0.03096410978184377 2023 0.7072484166080225 2024 1.0 2025 0.9141449683321604 2026 0.0

Keywords

activity 1.0 target 0.9643302569219256 docking 0.4879022200049888 potential 0.3913694188076827 visualization 0.3537041656273385 analysis 0.22798702918433525 binding 0.16313295086056373 novel 0.1601396857071589 vitro 0.12920927912197555 compound 0.09977550511349463 inhibition 0.09453729109503617 silico 0.08680468944874034 synthesis 0.0858069343976054 promising 0.08431030182090297 protein 0.08406086305811923 synthesized 0.08331254676976803 between 0.048391119980044896 potent 0.034921426789723126 treatment 0.030431529059615863 active 0.024195559990022448 drug 0.024195559990022448 development 0.01845846844599651 therapeutic 0.012222499376403092 interaction 0.0032427039161885755 effective 0.0
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