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Application

Discovery Studio 1.0 Materials Studio 0.9512367491166078 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.05690818421824582 Amorphous Cell 0.27046054561454974 Blends 0.0023467292461132297 CASTEP 0.30448811968319156 CDOCKER 0.1780580815488413 CHARMm 0.2807274860662951 COMPASS 0.3314755060134937 COMPASS III 0.1102962745673218 COSMObase 0.004400117336462305 COSMOconf 0.004986799647990613 COSMOmic 0.0 COSMOperm 2.933411557641537E-4 COSMOplex 2.933411557641537E-4 COSMOquick 5.866823115283074E-4 COSMOtherm 0.062188325022000585 Catalyst 0.07920211205632151 Classical Simulations 1.0 Conformers 5.866823115283074E-4 Crystallization 0.07304194778527427 DFTB Plus 0.004106776180698152 DMol3 0.14285714285714285 DPD 0.002933411557641537 Discover 0.0035200938691698444 Forcite 0.5142270460545615 GULP 0.01642710472279261 Kinetix 2.933411557641537E-4 LUDI 0.0032267527134056907 LibDock 0.0715752420064535 LigandFit 0.004106776180698152 MODELER 0.2572601936051628 MesoDyn 0.0 Mesocite 0.0035200938691698444 Mesoscale 0.006160164271047228 Modules 0.0 Morphology 0.0158404224112643 ONETEP 0.0011733646230566149 Polymorph 0.0023467292461132297 QMERA 2.933411557641537E-4 QSAR 0.0 Quantum Mechanics 0.4394250513347023 Reflex 0.05309474919331182 Reflex Plus 8.800234672924611E-4 Semi-empirical 0.005280140803754767 Sorption 0.05837488999706659 Synthia 0.0014667057788207685 TURBOMOLE 0.0 VAMP 2.933411557641537E-4 Visualization 0.7101789381050161 X-Cell 0.0014667057788207685 ZDOCK 0.02845409210912291

Year

2024 0.24406545286932474 2025 1.0 2026 0.8107858953675963 2027 0.0

Keywords

target 1.0 potential 0.3182745555231711 docking 0.23214806178956574 analysis 0.22631885747595454 visualization 0.1694841154182454 between 0.1385893325561061 promising 0.09151850772369571 novel 0.08976974642961236 binding 0.07679976683182746 energy 0.06674438939084815 cell 0.05727193238122996 activity 0.04954823666569513 stability 0.03963858933255611 performance 0.03584960652870883 including 0.025794229087729523 strong 0.018070533372194695 synthesized 0.015447391431069659 effective 0.0144272806761877 development 0.014135820460507141 mechanism 0.010638297872340425 enhanced 0.009472457009618187 interaction 0.005392013990090353 experimental 0.003788982803847275 strategy 0.0020402215097639173 protein 0.0
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