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Application

Discovery Studio 1.0 Materials Studio 0.6536908881199539 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.06438165817508106 Amorphous Cell 0.2427049559981473 Blends 0.0013895321908290875 CASTEP 0.28207503473830475 CDOCKER 0.22556739231125522 CHARMm 0.3584993052339046 COMPASS 0.30523390458545624 COMPASS III 0.08290875405280222 COSMObase 0.003242241778601204 COSMOconf 0.00555812876331635 COSMOquick 0.0018527095877721167 COSMOtherm 0.06021306160259379 Catalyst 0.09958314034275127 Classical Simulations 1.0 Conformers 0.0 Crystallization 0.06484483557202408 DFTB Plus 0.005094951366373321 DMol3 0.1287633163501621 DPD 0.003242241778601204 Discover 0.002315886984715146 Forcite 0.4687355257063455 GULP 0.019916628068550254 Kinetix 0.0 LUDI 0.004631773969430292 LibDock 0.09309865678554886 LigandFit 0.004631773969430292 MODELER 0.349235757295044 MesoDyn 0.0013895321908290875 Mesocite 0.0013895321908290875 Mesoscale 0.006484483557202408 Modules 0.0 Morphology 0.014358499305233904 ONETEP 0.0 Polymorph 4.631773969430292E-4 QSAR 9.263547938860583E-4 Quantum Mechanics 0.4029643353404354 Reflex 0.047244094488188976 Reflex Plus 9.263547938860583E-4 Semi-empirical 0.006021306160259379 Sorption 0.03983325613710051 Synthia 4.631773969430292E-4 TURBOMOLE 0.0 VAMP 4.631773969430292E-4 Visualization 0.8531727651690597 X-Cell 0.002315886984715146 ZDOCK 0.03751736915238536

Year

2025 0.0

Keywords

target 1.0 potential 0.35087370929308975 docking 0.2829626687847498 analysis 0.2317315329626688 visualization 0.18784749801429707 between 0.13204924543288324 binding 0.1108022239872915 novel 0.10345512311358221 promising 0.09412231930103257 activity 0.06969817315329627 including 0.0409054805401112 cell 0.03971405877680699 stability 0.03316123907863384 energy 0.031175536139793486 therapeutic 0.027601270849880857 protein 0.021842732327243843 strong 0.019062748212867357 development 0.017474185861795076 interaction 0.01687847498014297 effective 0.007347100873709293 synthesized 0.007347100873709293 silico 0.005559968228752979 synthesis 0.004964257347100874 mechanism 0.0019857029388403494 vitro 0.0
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