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Application

Discovery Studio 1.0 Materials Studio 0.6940520446096654 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.050913838120104436 Amorphous Cell 0.11684073107049608 Blends 0.0032637075718015664 CASTEP 0.4366840731070496 CDOCKER 0.347911227154047 CHARMm 0.5228459530026109 COMPASS 0.23433420365535249 COMPASS III 0.007832898172323759 COSMObase 0.0 COSMOconf 6.527415143603133E-4 COSMOmic 0.0 COSMOquick 0.0013054830287206266 COSMOtherm 0.06592689295039164 Catalyst 0.5424281984334204 Classical Simulations 1.0 Conformers 0.0013054830287206266 Crystallization 0.0835509138381201 DFTB Plus 0.0013054830287206266 DMol3 0.3035248041775457 DPD 0.01174934725848564 Discover 0.030026109660574413 Forcite 0.25130548302872063 GULP 0.043733681462140996 LUDI 0.05221932114882506 LibDock 0.09660574412532637 LigandFit 0.11357702349869452 MCSS 0.006527415143603133 MODELER 0.49673629242819844 MesoDyn 0.0039164490861618795 Mesocite 0.00587467362924282 Mesoscale 0.018929503916449087 Morphology 0.012402088772845953 ONETEP 0.0039164490861618795 Polymorph 0.005221932114882507 QMERA 0.0 QSAR 0.0039164490861618795 Quantum Mechanics 0.7330287206266318 Reflex 0.06723237597911227 Reflex Plus 0.0026109660574412533 Reflex QPA 0.0 Semi-empirical 0.005221932114882507 Sorption 0.022193211488250653 Synthia 6.527415143603133E-4 TURBOMOLE 0.0026109660574412533 VAMP 0.0026109660574412533 Visualization 0.5992167101827677 X-Cell 0.007180156657963447 ZDOCK 0.038511749347258484

Year

2003 0.0 2004 0.013513513513513514 2005 0.025525525525525526 2006 0.04504504504504504 2007 0.06156156156156156 2008 0.11561561561561562 2009 0.14264264264264265 2010 0.23273273273273273 2011 0.17567567567567569 2012 0.15615615615615616 2013 0.4174174174174174 2014 0.6246246246246246 2015 0.6471471471471472 2016 0.6426426426426426 2017 0.515015015015015 2018 0.5885885885885885 2019 0.18768768768768768 2020 0.4009009009009009 2021 0.29429429429429427 2022 1.0 2023 0.2972972972972973 2024 0.2897897897897898 2025 0.13513513513513514 2026 0.042042042042042045

Keywords

novel 1.0 target 0.9639162857830166 potential 0.15852778445994709 docking 0.14794322828963194 synthesized 0.11137839788308877 activity 0.09622323791195574 synthesis 0.09429877315371663 between 0.07986528746692326 design 0.07120519605484725 analysis 0.0654318017801299 compound 0.057012268462833776 binding 0.054606687515034884 visualization 0.05436612942025499 catalyst 0.052682222756795766 chemical 0.026701948520567717 potent 0.02598027423622805 development 0.022853019004089488 well 0.015395718065912918 modeler 0.013230695212893913 protein 0.009862881885975464 promising 0.003367813326918451 cell 0.0028866971373586723 inhibition 4.811161895597787E-4 energy 2.4055809477988935E-4 drug 0.0
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