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Application

Discovery Studio 0.8552817898612292 Materials Studio 1.0 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.11508631473605203 Amorphous Cell 0.1456092069051789 Antibody 0.0 Blends 0.003002251688766575 CASTEP 0.6334751063297474 CDOCKER 0.250688016012009 CHARMm 0.29372029021766327 COMPASS 0.33675256442331747 COMPASS III 0.028021015761821366 COSMObase 0.0 COSMOconf 5.003752814610958E-4 COSMOmic 2.501876407305479E-4 COSMOperm 2.501876407305479E-4 COSMOquick 5.003752814610958E-4 COSMOtherm 0.037027770828121094 Catalyst 0.29221916437327994 Classical Simulations 1.0 Conformers 0.0017513134851138354 Crystallization 0.174881160870653 DFTB Plus 0.006254691018263698 DMol3 0.3177383037277958 DPD 0.007505629221916437 Discover 0.02752064048036027 Equilibria 0.0 Forcite 0.42531898924193146 GULP 0.03402551913935452 LUDI 0.009256942707030274 LibDock 0.06179634726044533 LigandFit 0.02902176632474356 MCSS 0.0035026269702276708 MODELER 0.1503627720790593 MesoDyn 0.0035026269702276708 Mesocite 0.0037528146109582186 Mesoscale 0.013510132599449587 Morphology 0.021265949462096572 ONETEP 2.501876407305479E-4 Polymorph 0.00600450337753315 QMERA 7.505629221916438E-4 QSAR 0.0027520640480360272 Quantum Mechanics 0.9349512134100575 Reflex 0.14085564173129847 Reflex Plus 0.010007505629221916 Semi-empirical 0.01451088316237178 Sorption 0.050788091068301226 Synthia 0.002501876407305479 TURBOMOLE 5.003752814610958E-4 VAMP 0.0070052539404553416 Visualization 0.9019264448336253 X-Cell 0.005253940455341506 ZDOCK 0.006504878658994246

Year

2001 5.621135469364812E-4 2002 0.003372681281618887 2003 0.0016863406408094434 2004 0.007307476110174255 2005 0.007869589657110737 2006 0.016301292861157952 2007 0.01854974704890388 2008 0.03204047217537943 2009 0.050590219224283306 2010 0.06520517144463181 2011 0.10399100618324901 2012 0.13603147835862844 2013 0.1849353569421023 2014 0.2175379426644182 2015 0.2776840921866217 2016 0.26700393479482853 2017 0.33108487914558743 2018 0.3946037099494098 2019 0.49128724002248453 2020 0.5401911186059584 2021 0.6155143338954469 2022 0.7026419336706015 2023 0.8487914558740866 2024 1.0 2025 0.9173693086003373 2026 0.3456998313659359 2027 0.0

Keywords

synthesized 1.0 target 0.9663916107959429 synthesis 0.30556988138215574 novel 0.21652054323534467 docking 0.20723740759841844 potential 0.1679559910606842 visualization 0.14612343132198727 compound 0.14371669245315455 analysis 0.09420663572288121 activity 0.09222967165205433 between 0.09076843733883445 designed 0.05844937252879491 design 0.05208870551830841 experimental 0.04847859721505931 promising 0.04254770500257865 binding 0.04177411036616813 potent 0.030943785456420837 inhibition 0.027677496991576414 vitro 0.02037132542547705 energy 0.020027505587072374 well 0.011603919546157814 cell 0.007907856283307547 x-ray 0.006274712050885336 chemical 0.005329207495272477 active 0.0
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