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Application

Discovery Studio 1.0 Materials Studio 0.932786367939413 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.05559906029757244 Amorphous Cell 0.2689898198903681 Blends 0.0023492560689115116 CASTEP 0.29796397807361 CDOCKER 0.17462803445575567 CHARMm 0.283476898981989 COMPASS 0.3347689898198904 COMPASS III 0.10884886452623337 COSMObase 0.004698512137823023 COSMOconf 0.006656225528582615 COSMOmic 0.0 COSMOperm 7.830853563038371E-4 COSMOplex 3.9154267815191856E-4 COSMOquick 0.0 COSMOtherm 0.06460454189506656 Catalyst 0.0779169929522318 Classical Simulations 1.0 Conformers 3.9154267815191856E-4 Crystallization 0.07282693813625685 DFTB Plus 0.00274079874706343 DMol3 0.13390759592795615 DPD 0.0015661707126076742 Discover 0.003915426781519186 Forcite 0.5101801096319499 GULP 0.014095536413469069 Kinetix 0.0 LUDI 0.003915426781519186 LibDock 0.0740015661707126 LigandFit 0.003523884103367267 MODELER 0.26507439310884884 Mesocite 0.003915426781519186 Mesoscale 0.005090054815974941 Morphology 0.01644479248238058 ONETEP 7.830853563038371E-4 Polymorph 0.0023492560689115116 QMERA 0.0 QSAR 0.0 Quantum Mechanics 0.4256068911511355 Reflex 0.052858261550509 Reflex Plus 0.0 Semi-empirical 0.003523884103367267 Sorption 0.05716523101018011 Synthia 7.830853563038371E-4 TURBOMOLE 0.0 VAMP 0.0 Visualization 0.696945967110415 X-Cell 0.0011746280344557558 ZDOCK 0.031323414252153486

Year

2024 0.07160647571606475 2025 1.0 2026 0.9869240348692403 2027 0.0

Keywords

target 1.0 potential 0.3344103392568659 docking 0.24050888529886916 analysis 0.23000807754442648 visualization 0.16882067851373184 between 0.1298465266558966 promising 0.10016155088852989 novel 0.0967285945072698 binding 0.0840064620355412 energy 0.06058158319870759 cell 0.05795638126009693 activity 0.05512924071082391 stability 0.04402261712439418 performance 0.034733441033925685 strong 0.033117932148626815 including 0.0268578352180937 effective 0.017164781906300483 development 0.016760904684975767 enhanced 0.01352988691437803 strategy 0.009087237479806139 synthesized 0.008481421647819063 mechanism 0.008077544426494346 therapeutic 0.0070678513731825526 design 0.0 interaction 0.0
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