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Application

Discovery Studio 1.0 Materials Studio 0.6324225865209472 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.08305462653288741 Amorphous Cell 0.11872909698996656 Blends 5.574136008918618E-4 CASTEP 0.26142697881828314 CDOCKER 0.1794871794871795 CHARMm 0.2463768115942029 COMPASS 0.23132664437012262 COMPASS III 0.037346711259754736 COSMObase 0.0 COSMOconf 0.0 COSMOmic 0.0 COSMOperm 5.574136008918618E-4 COSMOquick 0.0 COSMOtherm 0.021181716833890748 Catalyst 0.26031215161649945 Classical Simulations 0.7313266443701226 Conformers 0.0 Crystallization 0.10089186176142698 DFTB Plus 0.0016722408026755853 DMol3 0.11594202898550725 DPD 5.574136008918618E-4 Forcite 0.34057971014492755 GULP 0.010033444816053512 LUDI 0.004459308807134894 LibDock 0.059085841694537344 LigandFit 0.002229654403567447 MCSS 5.574136008918618E-4 MODELER 0.09308807134894091 MesoDyn 0.0 Mesocite 0.0011148272017837235 Mesoscale 0.002787068004459309 Morphology 0.013377926421404682 QSAR 5.574136008918618E-4 Quantum Mechanics 0.3756967670011148 Reflex 0.08639910813823858 Reflex Plus 0.0011148272017837235 Semi-empirical 0.002787068004459309 Sorption 0.03400222965440357 Synthia 0.0 TURBOMOLE 0.0 VAMP 5.574136008918618E-4 Visualization 1.0 X-Cell 0.002787068004459309 ZDOCK 0.0039018952062430325

Year

2022 0.18711656441717792 2023 0.5331288343558283 2024 0.7736196319018405 2025 1.0 2026 0.3257668711656442 2027 0.0

Keywords

synthesized 1.0 target 0.9555498458376156 docking 0.37692702980472764 synthesis 0.3630524152106886 potential 0.2864850976361768 visualization 0.2790339157245632 novel 0.2710688591983556 compound 0.18859198355601234 analysis 0.1657245632065776 activity 0.1395169578622816 binding 0.10868448098663926 promising 0.10123329907502569 between 0.06937307297019528 vitro 0.06808838643371018 design 0.06603288797533402 inhibition 0.06294964028776978 potent 0.05935251798561151 designed 0.0578108941418294 effective 0.022867420349434738 silico 0.022867420349434738 cell 0.019270298047276466 experimental 0.018499486125385406 active 0.011562178828365879 drug 0.007194244604316547 development 0.0
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