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Application

Discovery Studio 1.0 Materials Studio 0.46885245901639344 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.05464926590538336 Amorphous Cell 0.14518760195758565 Blends 8.156606851549756E-4 CASTEP 0.32300163132137033 CDOCKER 0.18760195758564438 CHARMm 0.3442088091353997 COMPASS 0.1835236541598695 COMPASS III 0.052202283849918436 COSMObase 0.0032626427406199023 COSMOconf 0.004078303425774877 COSMOmic 0.0 COSMOperm 8.156606851549756E-4 COSMOtherm 0.05057096247960848 Catalyst 0.12071778140293637 Classical Simulations 0.7430668841761827 Conformers 0.0 Crystallization 0.026916802610114192 DFTB Plus 0.004078303425774877 DMol3 0.11011419249592169 DPD 0.0 Discover 0.0 Forcite 0.28548123980424145 GULP 0.01468189233278956 Kinetix 0.0 LUDI 0.004078303425774877 LibDock 0.09216965742251224 LigandFit 0.0024469820554649264 MODELER 0.3034257748776509 MesoDyn 0.0 Mesocite 0.0016313213703099511 Mesoscale 0.0024469820554649264 Modules 0.0 Morphology 0.00734094616639478 Polymorph 0.0 QMERA 0.0 QSAR 0.0016313213703099511 Quantum Mechanics 0.42495921696574224 Reflex 0.017128874388254486 Reflex Plus 8.156606851549756E-4 Semi-empirical 0.004893964110929853 Sorption 0.02365415986949429 Synthia 0.0 Visualization 1.0 X-Cell 0.0 ZDOCK 0.02936378466557912

Year

2023 0.0 2024 0.55188246097337 2025 1.0 2026 0.049586776859504134

Keywords

analysis 1.0 target 0.9287249283667621 potential 0.41296561604584525 docking 0.4054441260744986 visualization 0.25179083094555876 binding 0.1518624641833811 between 0.1511461318051576 novel 0.07736389684813753 promising 0.07199140401146131 protein 0.07127507163323782 activity 0.06984240687679083 interaction 0.060530085959885384 stability 0.05981375358166189 including 0.055873925501432664 silico 0.0508595988538682 energy 0.03044412607449857 vitro 0.026146131805157593 therapeutic 0.025071633237822348 drug 0.01969914040114613 mechanism 0.017191977077363897 experimental 0.007879656160458453 treatment 0.0064469914040114614 strong 0.0032234957020057307 compound 3.5816618911174784E-4 effective 0.0
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