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Application

Discovery Studio 1.0 Materials Studio 0.7428298279158699 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.049726277372262775 Amorphous Cell 0.25045620437956206 Blends 0.002281021897810219 CASTEP 0.2545620437956204 CDOCKER 0.20072992700729927 CHARMm 0.32344890510948904 COMPASS 0.3115875912408759 COMPASS III 0.10766423357664233 COSMObase 0.0031934306569343066 COSMOconf 0.006843065693430657 COSMOmic 0.0 COSMOperm 4.562043795620438E-4 COSMOplex 4.562043795620438E-4 COSMOtherm 0.05885036496350365 Catalyst 0.08987226277372262 Classical Simulations 1.0 Conformers 4.562043795620438E-4 Crystallization 0.07071167883211679 DFTB Plus 0.002737226277372263 DMol3 0.11815693430656934 DPD 0.0013686131386861315 Discover 0.0036496350364963502 Forcite 0.4885948905109489 GULP 0.011405109489051095 Kinetix 0.0 LUDI 0.004562043795620438 LibDock 0.08531021897810219 LigandFit 0.004105839416058394 MODELER 0.30474452554744524 Mesocite 0.004105839416058394 Mesoscale 0.005018248175182482 Morphology 0.016423357664233577 ONETEP 9.124087591240876E-4 Polymorph 0.0018248175182481751 QMERA 0.0 Quantum Mechanics 0.3681569343065693 Reflex 0.051094890510948905 Reflex Plus 0.0 Semi-empirical 0.0036496350364963502 Sorption 0.055656934306569344 Synthia 9.124087591240876E-4 TURBOMOLE 0.0 VAMP 0.0 Visualization 0.7764598540145985 X-Cell 0.0013686131386861315 ZDOCK 0.035583941605839414

Year

2024 0.056566970091027305 2025 1.0 2026 0.8433029908972692 2027 0.0

Keywords

target 1.0 potential 0.34876957494407157 docking 0.274496644295302 analysis 0.23557046979865773 visualization 0.18769574944071588 between 0.12170022371364653 binding 0.09977628635346757 novel 0.09865771812080537 promising 0.09664429530201342 activity 0.06554809843400447 cell 0.046308724832214765 stability 0.03467561521252797 energy 0.03243847874720358 including 0.02953020134228188 strong 0.028635346756152126 therapeutic 0.020134228187919462 development 0.018344519015659956 protein 0.012527964205816556 effective 0.011633109619686801 mechanism 0.008501118568232663 performance 0.006263982102908278 synthesized 0.006263982102908278 interaction 0.0011185682326621924 enhanced 6.711409395973154E-4 strategy 0.0
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