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Application

Discovery Studio 1.0 Materials Studio 0.5732217573221757 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.06317567567567567 Amorphous Cell 0.07567567567567568 Blends 3.3783783783783786E-4 CASTEP 0.2962837837837838 CDOCKER 0.22635135135135134 CHARMm 0.28986486486486485 COMPASS 0.16824324324324325 COMPASS III 0.02364864864864865 COSMObase 3.3783783783783786E-4 COSMOconf 0.0 COSMOperm 3.3783783783783786E-4 COSMOplex 0.0 COSMOquick 3.3783783783783786E-4 COSMOtherm 0.03141891891891892 Catalyst 0.31385135135135134 Classical Simulations 0.7033783783783784 Conformers 0.002364864864864865 Crystallization 0.10810810810810811 DFTB Plus 0.005405405405405406 DMol3 0.21452702702702703 DPD 0.0016891891891891893 Discover 0.008783783783783784 Forcite 0.2456081081081081 GULP 0.033783783783783786 Kinetix 0.0 LUDI 0.00945945945945946 LibDock 0.06756756756756757 LigandFit 0.023310810810810812 MCSS 0.0030405405405405407 MODELER 0.17905405405405406 MesoDyn 0.004054054054054054 Mesocite 6.756756756756757E-4 Mesoscale 0.006756756756756757 Morphology 0.012162162162162163 Polymorph 0.002364864864864865 QMERA 3.3783783783783786E-4 QSAR 0.002702702702702703 Quantum Mechanics 0.49864864864864866 Reflex 0.0891891891891892 Reflex Plus 0.005405405405405406 Semi-empirical 0.010135135135135136 Sorption 0.025675675675675677 Synthia 3.3783783783783786E-4 TURBOMOLE 0.0 VAMP 0.0037162162162162164 Visualization 1.0 X-Cell 0.004054054054054054 ZDOCK 0.008108108108108109

Year

2001 6.540222367560497E-4 2002 0.0 2003 0.002616088947024199 2004 0.005886200130804447 2005 0.003924133420536298 2006 0.011118378024852845 2007 0.01831262262916939 2008 0.02289077828646174 2009 0.026814911706998037 2010 0.033355134074558535 2011 0.06213211249182472 2012 0.08502289077828647 2013 0.11249182472204054 2014 0.10071942446043165 2015 0.14519293655984303 2016 0.1249182472204055 2017 0.16154349247874428 2018 0.20340091563113147 2019 0.23479398299542184 2020 0.2596468279921517 2021 0.302812295618051 2022 0.6082406801831263 2023 0.7259646827992152 2024 1.0 2025 0.8986265533028123 2026 0.18639633747547416 2027 0.0

Keywords

synthesis 1.0 target 0.9698563912981658 synthesized 0.3978387601308119 docking 0.330726574719181 visualization 0.257642542300583 novel 0.24185980378216976 potential 0.22280676809327457 compound 0.17446324470354047 design 0.15512583534764682 activity 0.1511446040096687 analysis 0.11204322479738377 binding 0.07806057159107067 between 0.06426844874164653 potent 0.06412626190814731 promising 0.06398407507464808 vitro 0.05957628323617233 inhibition 0.052182567894212994 designed 0.025593630029859236 active 0.02175458552538035 catalyst 0.01748898052040381 chemical 0.011517133513436657 experimental 0.005687473339968719 well 0.004692165505474193 cell 0.003981231337978103 characterization 0.0
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