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Application

Discovery Studio 1.0 Materials Studio 0.7212593876372039 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.06367204535542957 Amorphous Cell 0.25076319232446576 Blends 0.0013083296990841692 CASTEP 0.29960750109027473 CDOCKER 0.21282163105102486 CHARMm 0.3388573920627998 COMPASS 0.3026602703881378 COMPASS III 0.09114696903619712 COSMObase 0.0034888791975577847 COSMOconf 0.006105538595726123 COSMOquick 0.0017444395987788923 COSMOtherm 0.06105538595726123 Catalyst 0.09376362843436546 Classical Simulations 1.0 Conformers 0.0 Crystallization 0.06367204535542957 DFTB Plus 0.00436109899694723 DMol3 0.1321412996075011 DPD 0.0030527692978630614 Discover 0.002180549498473615 Forcite 0.4797208896641954 GULP 0.0226777147841256 Kinetix 0.0 LUDI 0.004797208896641954 LibDock 0.08809419973833406 LigandFit 0.00436109899694723 MODELER 0.32882686436982117 MesoDyn 0.0017444395987788923 Mesocite 0.0013083296990841692 Mesoscale 0.0065416484954208464 Modules 0.0 Morphology 0.015263846489315308 ONETEP 0.0 Polymorph 4.361098996947231E-4 QSAR 8.722197993894462E-4 Quantum Mechanics 0.4221543829044919 Reflex 0.04622764936764064 Reflex Plus 8.722197993894462E-4 Semi-empirical 0.0056694286960314 Sorption 0.04404709986916703 Synthia 0.0013083296990841692 TURBOMOLE 0.0 VAMP 8.722197993894462E-4 Visualization 0.8102921936327955 X-Cell 0.0017444395987788923 ZDOCK 0.03532490187527257

Year

2025 0.0

Keywords

target 1.0 potential 0.34420015163002277 docking 0.26838514025777105 analysis 0.22573919636087944 visualization 0.18043972706595907 between 0.13551933282789994 binding 0.10348749052312357 novel 0.1023502653525398 promising 0.09438968915845337 activity 0.06652767247915087 cell 0.045678544351781654 including 0.045109931766489766 energy 0.04454131918119788 stability 0.039234268385140256 therapeutic 0.025018953752843062 development 0.023692191053828658 strong 0.02084912812736922 interaction 0.01990144048521607 protein 0.018953752843062926 synthesized 0.011182714177407127 effective 0.009855951478392721 synthesis 0.0047384382107657315 mechanism 0.003980288097043215 silico 0.002843062926459439 performance 0.0
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