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Application

Discovery Studio 1.0 Materials Studio 0.5946045824094605 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.04652644996813257 Amorphous Cell 0.23454429572976418 Blends 0.0012746972594008922 CASTEP 0.2695984703632887 CDOCKER 0.2676864244741874 CHARMm 0.39961759082217974 COMPASS 0.3052899936265137 COMPASS III 0.05927342256214149 COSMObase 0.0025493945188017845 COSMOconf 0.0019120458891013384 COSMOmic 0.0 COSMOperm 0.0031867431485022306 COSMOplex 0.0 COSMOquick 0.0038240917782026767 COSMOtherm 0.05991077119184194 Catalyst 0.21159974506054813 Classical Simulations 1.0 Conformers 0.0 Crystallization 0.05098789037603569 DFTB Plus 0.0038240917782026767 DMol3 0.17335882727852134 DPD 0.0025493945188017845 Discover 0.0025493945188017845 Forcite 0.44423199490121096 GULP 0.012109623964308477 LUDI 0.01338432122370937 LibDock 0.11153601019757807 LigandFit 0.014021669853409816 MCSS 0.0025493945188017845 MODELER 0.2708731676226896 MesoDyn 0.0012746972594008922 Mesocite 0.0031867431485022306 Mesoscale 0.007010834926704908 Morphology 0.01338432122370937 ONETEP 0.0012746972594008922 Polymorph 0.0012746972594008922 QSAR 0.0025493945188017845 Quantum Mechanics 0.4327597195666029 Reflex 0.035691523263224986 Reflex Plus 0.0 Semi-empirical 0.0038240917782026767 Sorption 0.038878266411727216 Synthia 6.373486297004461E-4 TURBOMOLE 0.0 Visualization 0.8961121733588273 X-Cell 0.0 ZDOCK 0.04461440407903123

Year

2021 0.0 2022 0.11030383091149273 2023 0.3963011889035667 2024 0.7992073976221928 2025 1.0 2026 0.23447820343461032

Keywords

development 1.0 target 0.9498961578400831 potential 0.35046728971962615 docking 0.2570093457943925 novel 0.2089823468328141 visualization 0.1721183800623053 analysis 0.16666666666666666 between 0.10617860851505712 promising 0.09475597092419523 binding 0.09190031152647975 activity 0.0745067497403946 effective 0.050623052959501556 protein 0.048286604361370715 design 0.04205607476635514 cell 0.037642782969885775 drug 0.031931464174454825 interaction 0.018951194184839044 including 0.018691588785046728 therapeutic 0.015835929387331256 treatment 0.013759086188992731 stability 0.01272066458982347 energy 0.010124610591900311 compound 0.005451713395638629 mechanism 0.004413291796469367 synthesized 0.0
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