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Application

Discovery Studio 1.0 Materials Studio 0.7733583489681051 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.06134969325153374 Amorphous Cell 0.13474210406725745 Antibody 6.816632583503749E-4 Blends 0.0045444217223358325 CASTEP 0.5764598954783003 CDOCKER 0.2853896841626903 CHARMm 0.43694614860259035 COMPASS 0.2369915928198137 COMPASS III 0.02772097250624858 COSMObase 0.0015905476028175414 COSMOconf 0.0022722108611679163 COSMOmic 6.816632583503749E-4 COSMOperm 9.088843444671666E-4 COSMOquick 0.0015905476028175414 COSMOtherm 0.08907066575778232 Cantera 0.0 Catalyst 0.31038400363553736 Classical Simulations 1.0 Conformers 0.0022722108611679163 Crystallization 0.06339468302658487 DFTB Plus 0.005226084980686207 DMol3 0.32719836400818 DPD 0.006816632583503749 Discover 0.019995455578277664 Forcite 0.30015905476028176 GULP 0.09202453987730061 Kinetix 2.2722108611679165E-4 LUDI 0.023858214042263123 LibDock 0.10497614178595774 LigandFit 0.05521472392638037 MCSS 0.00408997955010225 MODELER 0.3769597818677573 MesoDyn 0.002499431947284708 Mesocite 0.0022722108611679163 Mesoscale 0.010679391047489207 Morphology 0.014542149511474665 ONETEP 0.005907748239036582 Polymorph 0.002953874119518291 QMERA 2.2722108611679165E-4 QSAR 0.0018177686889343332 Quantum Mechanics 0.8922972051806408 Reflex 0.04408089070665758 Reflex Plus 0.0027266530334014998 Reflex QPA 2.2722108611679165E-4 Semi-empirical 0.00977050670302204 Sorption 0.038400363553737785 Synthia 0.0 TURBOMOLE 0.0013633265167007499 VAMP 0.0038627584639854577 Visualization 0.9095660077255169 X-Cell 0.0015905476028175414 ZDOCK 0.035219268348102704

Year

2001 0.004215456674473068 2002 0.007494145199063232 2003 0.0117096018735363 2004 0.01639344262295082 2005 0.017798594847775177 2006 0.03747072599531616 2007 0.03981264637002342 2008 0.06932084309133489 2009 0.07822014051522248 2010 0.10866510538641687 2011 0.1269320843091335 2012 0.1540983606557377 2013 0.17517564402810304 2014 0.1920374707259953 2015 0.22997658079625294 2016 0.2749414519906323 2017 0.32037470725995315 2018 0.31943793911007023 2019 0.322248243559719 2020 0.3957845433255269 2021 0.5466042154566745 2022 0.7058548009367681 2023 0.7686182669789228 2024 0.9892271662763467 2025 1.0 2026 0.2501170960187354 2027 0.0

Keywords

potential 1.0 target 0.9545074172689235 docking 0.23529859262076835 analysis 0.15777862305058957 visualization 0.13845568657284138 novel 0.12126283758082922 between 0.11449220235831115 binding 0.09532141498668695 energy 0.07348801825789274 activity 0.07173830353746671 promising 0.03933054393305439 protein 0.03392925066565234 drug 0.028451882845188285 interaction 0.026169646253328262 well 0.02320273868391023 experimental 0.022822365918600228 compound 0.019399011030810195 development 0.015519208824648155 synthesized 0.011715481171548118 chemical 0.010193990110308101 vitro 0.009813617344998098 inhibition 0.007151007987828071 including 9.889691898060098E-4 stability 6.08596424496006E-4 treatment 0.0
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