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Application

Discovery Studio 0.9951118352836616 Materials Studio 1.0 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.06005895357406043 Amorphous Cell 0.2809506263817244 Blends 0.0020265291083271923 CASTEP 0.343036109064112 CDOCKER 0.16672807663964628 CHARMm 0.26215917464996313 COMPASS 0.35003684598378776 COMPASS III 0.10003684598378777 COSMObase 0.004421518054532056 COSMOconf 0.00552689756816507 COSMOmic 1.8422991893883567E-4 COSMOperm 0.0012896094325718496 COSMOplex 1.8422991893883567E-4 COSMOquick 9.211495946941784E-4 COSMOtherm 0.06577008106116433 Catalyst 0.09100957995578482 Classical Simulations 1.0 Conformers 3.6845983787767134E-4 Crystallization 0.07184966838614591 DFTB Plus 0.004974207811348563 DMol3 0.1586219602063375 DPD 0.002579218865143699 Discover 0.004421518054532056 Forcite 0.5342667649226235 GULP 0.019528371407516582 Kinetix 1.8422991893883567E-4 LUDI 0.003316138540899042 LibDock 0.06963890935887988 LigandFit 0.003868828297715549 MODELER 0.2422623434045689 MesoDyn 7.369196757553427E-4 Mesocite 0.002579218865143699 Mesoscale 0.005711127487103906 Modules 0.0 Morphology 0.01787030213706706 ONETEP 9.211495946941784E-4 Polymorph 0.002210759027266028 QMERA 1.8422991893883567E-4 QSAR 7.369196757553427E-4 Quantum Mechanics 0.4917096536477524 Reflex 0.05084745762711865 Reflex Plus 0.0012896094325718496 Semi-empirical 0.006263817243920413 Sorption 0.05840088430361091 Synthia 0.001658069270449521 TURBOMOLE 1.8422991893883567E-4 VAMP 7.369196757553427E-4 Visualization 0.7417096536477524 X-Cell 0.0012896094325718496 ZDOCK 0.027818717759764185

Year

2023 0.08060128847530422 2024 0.41732283464566927 2025 1.0 2026 0.5832498210450966 2027 0.0

Keywords

target 1.0 potential 0.298438855160451 docking 0.22055507372072852 analysis 0.2103209019947962 visualization 0.17710320901994797 between 0.14891587163920209 novel 0.09696444058976583 promising 0.0795316565481353 energy 0.0792714657415438 binding 0.07311361665221162 cell 0.06409366869037295 activity 0.05247181266261925 stability 0.0393755420641804 performance 0.03529921942758023 synthesized 0.02142237640936687 including 0.019340849956634865 effective 0.018300086730268863 experimental 0.018039895923677364 development 0.01769297484822203 interaction 0.01699913269731136 mechanism 0.014657415437987858 enhanced 0.006418039895923678 protein 0.0037294015611448396 strong 0.0026886383347788376 synthesis 0.0
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