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Application

Discovery Studio 1.0 Materials Studio 0.5839372698110966 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.06282598387861546 Amorphous Cell 0.15244191559981032 Antibody 0.0 Blends 0.0026078710289236607 CASTEP 0.40208629682313896 CDOCKER 0.3717401612138454 CHARMm 0.4668089141773352 COMPASS 0.26884779516358465 COMPASS III 0.03366524419155998 COSMObase 0.0011853959222380276 COSMOconf 7.112375533428165E-4 COSMOmic 2.370791844476055E-4 COSMOperm 2.370791844476055E-4 COSMOplex 0.0 COSMOquick 0.002370791844476055 COSMOtherm 0.05357989568515884 Catalyst 0.36936936936936937 Classical Simulations 1.0 Conformers 0.0016595542911332385 Crystallization 0.07610241820768136 DFTB Plus 0.004267425320056899 DMol3 0.23186344238975817 DPD 0.005689900426742532 Discover 0.014461830251303936 Forcite 0.35443338074917025 GULP 0.022285443338074917 LUDI 0.02275960170697013 LibDock 0.12778568041725935 LigandFit 0.0476529160739687 MCSS 0.005215742057847321 MODELER 0.36770981507823614 MesoDyn 0.002844950213371266 Mesocite 0.0045045045045045045 Mesoscale 0.010668563300142247 Morphology 0.013039355144618302 ONETEP 0.0021337126600284497 Polymorph 0.0040303461356092935 QMERA 2.370791844476055E-4 QSAR 0.002844950213371266 Quantum Mechanics 0.6204362256993836 Reflex 0.05855855855855856 Reflex Plus 0.001422475106685633 Semi-empirical 0.007112375533428165 Sorption 0.022285443338074917 Synthia 0.0011853959222380276 TURBOMOLE 9.48316737790422E-4 VAMP 0.0021337126600284497 Visualization 0.9523470839260313 X-Cell 0.0040303461356092935 ZDOCK 0.04101469890943575

Year

2001 4.0617384240454913E-4 2002 0.0016246953696181965 2003 0.002843216896831844 2004 0.002843216896831844 2005 0.004061738424045491 2006 0.006498781478472786 2007 0.008935824532900082 2008 0.017059301380991064 2009 0.017871649065800164 2010 0.04183590576766856 2011 0.06133225020308692 2012 0.07148659626320066 2013 0.08448415922014622 2014 0.10154346060113728 2015 0.1255077173030057 2016 0.12266450040617384 2017 0.15069049553208774 2018 0.210804224207961 2019 0.3322502030869212 2020 0.3972380178716491 2021 0.45572705117790413 2022 0.5499593826157595 2023 0.7587327376116978 2024 1.0 2025 0.9220146222583265 2026 0.22948822095857027 2027 0.0

Keywords

novel 1.0 target 0.9632199281116777 potential 0.27108584803143027 docking 0.2584635960879378 visualization 0.16584468778734432 analysis 0.13742372314636797 synthesized 0.13449803560979687 synthesis 0.10724734598344897 activity 0.10549193346150632 between 0.08634957786508402 binding 0.08576444035776978 compound 0.07916074563236647 design 0.06678926690629441 promising 0.06612053832650673 development 0.06444871687703753 drug 0.032433336119702415 protein 0.032433336119702415 potent 0.027417871771294827 vitro 0.02014544846610382 inhibition 0.0199782663211569 cell 0.018139262726740785 effective 0.0052662375658279695 energy 0.003510825043885313 chemical 8.359107247345983E-5 interaction 0.0
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