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Application

Discovery Studio 1.0 Materials Studio 0.3424159854677566 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.06354009077155824 Amorphous Cell 0.060514372163388806 CASTEP 0.15431164901664146 CDOCKER 0.17549167927382753 CHARMm 0.2753403933434191 COMPASS 0.10892586989409984 COMPASS III 0.04387291981845688 COSMObase 0.0 COSMOperm 0.0 COSMOtherm 0.025718608169440244 Catalyst 0.2692889561270802 Classical Simulations 0.573373676248109 Crystallization 0.060514372163388806 DMol3 0.0907715582450832 Discover 0.0015128593040847202 Forcite 0.20121028744326777 GULP 0.0045385779122541605 LUDI 0.0030257186081694403 LibDock 0.07261724659606657 LigandFit 0.0 MCSS 0.0015128593040847202 MODELER 0.14977307110438728 MesoDyn 0.0 Mesoscale 0.0 Morphology 0.009077155824508321 Quantum Mechanics 0.24205748865355523 Reflex 0.0529500756429652 Sorption 0.02118003025718608 Visualization 1.0 ZDOCK 0.01059001512859304

Year

2023 0.22134387351778656 2024 0.7470355731225297 2025 1.0 2026 0.0

Keywords

synthesis 1.0 target 0.9675174013921114 docking 0.4648105181747873 synthesized 0.4091260634184068 potential 0.3271461716937355 visualization 0.32405259087393656 novel 0.2853828306264501 compound 0.19721577726218098 analysis 0.17633410672853828 activity 0.16782675947409126 design 0.1477184841453983 promising 0.11755607115235886 binding 0.10827532869296211 vitro 0.08584686774941995 inhibition 0.08120649651972157 potent 0.0711523588553751 between 0.051817478731631866 silico 0.04717710750193349 active 0.017788089713843776 protein 0.013921113689095127 drug 0.01082753286929621 effective 0.01082753286929621 strong 0.0030935808197989174 designed 0.0 evaluation 0.0
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