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Application

Discovery Studio 1.0 Materials Studio 0.8876768867924528 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.053982634956587394 Amorphous Cell 0.26651566628916573 Blends 0.001887504718761797 CASTEP 0.280483201208003 CDOCKER 0.1812004530011325 CHARMm 0.29067572668931674 COMPASS 0.32918082295205736 COMPASS III 0.10985277463193659 COSMObase 0.004152510381275953 COSMOconf 0.00604001510003775 COSMOmic 0.0 COSMOperm 3.7750094375235937E-4 COSMOplex 3.7750094375235937E-4 COSMOquick 3.7750094375235937E-4 COSMOtherm 0.059267648169120425 Catalyst 0.07701019252548132 Classical Simulations 1.0 Conformers 3.7750094375235937E-4 Crystallization 0.07361268403171008 DFTB Plus 0.0033975084937712344 DMol3 0.13250283125707815 DPD 0.001887504718761797 Discover 0.003775009437523594 Forcite 0.5096262740656852 GULP 0.013967534918837296 Kinetix 0.0 LUDI 0.003775009437523594 LibDock 0.07323518308795772 LigandFit 0.003775009437523594 MODELER 0.2714231785579464 Mesocite 0.0033975084937712344 Mesoscale 0.004907512268780672 Morphology 0.016232540581351453 ONETEP 7.550018875047187E-4 Polymorph 0.0026425066062665155 QMERA 3.7750094375235937E-4 Quantum Mechanics 0.40694601736504343 Reflex 0.053227633069082674 Reflex Plus 7.550018875047187E-4 Semi-empirical 0.004907512268780672 Sorption 0.0604001510003775 Synthia 7.550018875047187E-4 TURBOMOLE 0.0 VAMP 3.7750094375235937E-4 Visualization 0.7183842959607399 X-Cell 0.0015100037750094375 ZDOCK 0.03020007550018875

Year

2024 0.07546066101199181 2025 1.0 2026 0.9333138344545189 2027 0.0

Keywords

target 1.0 potential 0.33522172299277203 docking 0.2490720843914827 analysis 0.23559288923617894 visualization 0.17718304356319595 between 0.13049423715569447 promising 0.09708927524907209 novel 0.09103340496190662 binding 0.09005665168978316 energy 0.057433092400859545 cell 0.05450283258448916 activity 0.051767923422543466 stability 0.040046884157061924 including 0.02949794881812854 strong 0.02852119554600508 performance 0.025786286384059387 development 0.013283844500879077 effective 0.012697792537605002 mechanism 0.008986130103535847 enhanced 0.007032623559288923 therapeutic 0.007032623559288923 synthesized 0.006055870287165462 strategy 0.003125610470795077 interaction 3.907013088493846E-4 protein 0.0
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