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Application

Discovery Studio 1.0 Materials Studio 0.4242125984251969 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.06220546654099906 Amorphous Cell 0.15645617342130066 Blends 9.42507068803016E-4 CASTEP 0.3081998114985862 CDOCKER 0.235626767200754 CHARMm 0.40339302544769085 COMPASS 0.18661639962299717 COMPASS III 0.04524033930254477 COSMObase 0.00471253534401508 COSMOconf 0.002827521206409048 COSMOmic 0.0 COSMOperm 9.42507068803016E-4 COSMOtherm 0.05372290292177191 Catalyst 0.10744580584354382 Classical Simulations 0.8124410933081998 Crystallization 0.03298774740810556 DFTB Plus 0.002827521206409048 DMol3 0.11969839773798303 DPD 0.0 Discover 0.001885014137606032 Forcite 0.2780395852968897 GULP 0.016022620169651274 LUDI 0.008482563619227144 LibDock 0.09048067860508954 LigandFit 9.42507068803016E-4 MODELER 0.411875589066918 Mesocite 0.002827521206409048 Mesoscale 0.003770028275212064 Morphology 0.007540056550424128 Polymorph 0.001885014137606032 QMERA 0.0 QSAR 9.42507068803016E-4 Quantum Mechanics 0.4213006597549482 Reflex 0.021677662582469368 Semi-empirical 0.003770028275212064 Sorption 0.02827521206409048 Visualization 1.0 X-Cell 0.001885014137606032 ZDOCK 0.03298774740810556

Year

2024 0.2941853770869315 2025 1.0 2026 0.4720782959124928 2027 0.0

Keywords

analysis 1.0 target 0.8986697965571205 potential 0.44679186228482004 docking 0.4284037558685446 visualization 0.2190923317683881 binding 0.1850547730829421 between 0.14006259780907668 promising 0.1056338028169014 novel 0.08450704225352113 activity 0.0782472613458529 stability 0.0770735524256651 therapeutic 0.0715962441314554 including 0.06455399061032864 protein 0.061815336463223784 strong 0.05868544600938967 silico 0.04342723004694836 interaction 0.030125195618153366 vitro 0.008998435054773083 energy 0.008607198748043818 treatment 0.007433489827856025 development 0.007042253521126761 compound 0.004694835680751174 effective 0.003129890453834116 inhibition 0.003129890453834116 mechanism 0.0
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