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Application

Discovery Studio 1.0 Materials Studio 0.8708348932983901 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.0635 Amorphous Cell 0.271 Blends 0.003 CASTEP 0.3165 CDOCKER 0.1795 CHARMm 0.2985 COMPASS 0.3285 COMPASS III 0.099 COSMObase 0.0045 COSMOconf 0.005 COSMOperm 5.0E-4 COSMOquick 5.0E-4 COSMOtherm 0.058 Catalyst 0.082 Classical Simulations 1.0 Conformers 0.0 Crystallization 0.0685 DFTB Plus 5.0E-4 DMol3 0.1395 DPD 0.002 Discover 0.007 Forcite 0.5065 GULP 0.013 LUDI 0.005 LibDock 0.076 LigandFit 0.0045 MCSS 5.0E-4 MODELER 0.2755 MesoDyn 0.001 Mesocite 0.003 Mesoscale 0.006 Morphology 0.015 ONETEP 0.0 Polymorph 0.0015 QMERA 0.0 QSAR 5.0E-4 Quantum Mechanics 0.446 Reflex 0.051 Reflex Plus 0.0 Semi-empirical 0.0025 Sorption 0.048 Synthia 0.0 TURBOMOLE 0.0 VAMP 0.001 Visualization 0.7475 X-Cell 0.0015 ZDOCK 0.0335

Year

2024 0.4277185501066098 2025 1.0 2026 0.8597014925373134 2027 0.0

Keywords

target 1.0 potential 0.3142580019398642 docking 0.2502424830261882 analysis 0.22550921435499516 visualization 0.17580019398642094 between 0.13821532492725508 novel 0.09602327837051407 binding 0.09141610087293889 promising 0.09141610087293889 activity 0.053831231813773035 cell 0.0518913676042677 energy 0.0511639185257032 stability 0.03612997090203686 including 0.01988360814742968 strong 0.01988360814742968 performance 0.01745877788554801 development 0.014548981571290009 mechanism 0.010184287099903006 effective 0.009699321047526674 synthesized 0.007032007759456838 enhanced 0.004849660523763337 protein 0.0038797284190106693 interaction 0.0036372453928225023 experimental 0.0016973811833171678 therapeutic 0.0
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