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Application

Discovery Studio 0.819431279620853 Materials Studio 1.0 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.11251798561151079 Amorphous Cell 0.1479136690647482 Antibody 0.0 Blends 0.0034532374100719426 CASTEP 0.661294964028777 CDOCKER 0.25611510791366904 CHARMm 0.28863309352517985 COMPASS 0.34302158273381295 COMPASS III 0.02273381294964029 COSMObase 0.0 COSMOconf 5.755395683453237E-4 COSMOmic 2.8776978417266187E-4 COSMOperm 2.8776978417266187E-4 COSMOquick 5.755395683453237E-4 COSMOtherm 0.039136690647482014 Catalyst 0.28719424460431653 Classical Simulations 1.0 Conformers 0.0017266187050359713 Crystallization 0.17985611510791366 DFTB Plus 0.006906474820143885 DMol3 0.339568345323741 DPD 0.008057553956834532 Discover 0.03107913669064748 Equilibria 0.0 Forcite 0.4241726618705036 GULP 0.03482014388489209 LUDI 0.008345323741007195 LibDock 0.05870503597122302 LigandFit 0.02935251798561151 MCSS 0.0031654676258992807 MODELER 0.14964028776978416 MesoDyn 0.004028776978417266 Mesocite 0.004028776978417266 Mesoscale 0.014676258992805755 Morphology 0.02014388489208633 ONETEP 2.8776978417266187E-4 Polymorph 0.0060431654676258995 QMERA 8.633093525179857E-4 QSAR 0.0031654676258992807 Quantum Mechanics 0.9833093525179856 Reflex 0.14561151079136692 Reflex Plus 0.010935251798561151 Semi-empirical 0.015827338129496403 Sorption 0.0520863309352518 Synthia 0.0028776978417266188 TURBOMOLE 5.755395683453237E-4 VAMP 0.007482014388489209 Visualization 0.9015827338129496 X-Cell 0.005179856115107914 ZDOCK 0.006330935251798561

Year

2001 0.0 2002 0.0020325203252032522 2003 0.0020325203252032522 2004 0.008807588075880758 2005 0.009485094850948509 2006 0.01964769647696477 2007 0.022357723577235773 2008 0.03861788617886179 2009 0.06097560975609756 2010 0.07181571815718157 2011 0.09959349593495935 2012 0.13617886178861788 2013 0.20596205962059622 2014 0.2621951219512195 2015 0.3346883468834688 2016 0.3218157181571816 2017 0.3990514905149051 2018 0.47560975609756095 2019 0.592140921409214 2020 0.5995934959349594 2021 0.6117886178861789 2022 0.8455284552845529 2023 1.0 2024 0.9139566395663956 2025 0.7798102981029811 2026 0.21747967479674796 2027 0.0

Keywords

synthesized 1.0 target 0.9692982456140351 synthesis 0.305458089668616 novel 0.21091617933723197 docking 0.1956140350877193 potential 0.1564327485380117 compound 0.14512670565302144 visualization 0.14405458089668616 between 0.09346978557504873 activity 0.09103313840155945 analysis 0.09005847953216374 designed 0.06237816764132553 experimental 0.05224171539961014 design 0.05116959064327485 binding 0.03820662768031189 promising 0.03391812865497076 potent 0.02884990253411306 inhibition 0.023489278752436647 energy 0.022612085769980507 vitro 0.02046783625730994 well 0.016666666666666666 x-ray 0.011598440545808967 chemical 0.009746588693957114 cell 0.007992202729044834 active 0.0
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