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Application

Discovery Studio 0.8512051155927202 Materials Studio 1.0 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.12294372294372294 Amorphous Cell 0.13722943722943723 Antibody 0.0 Blends 0.0025974025974025974 CASTEP 0.6294372294372295 CDOCKER 0.2528138528138528 CHARMm 0.2982683982683983 COMPASS 0.3303030303030303 COMPASS III 0.02683982683982684 COSMOconf 4.329004329004329E-4 COSMOperm 0.0 COSMOquick 8.658008658008658E-4 COSMOtherm 0.0329004329004329 Catalyst 0.3077922077922078 Classical Simulations 1.0 Conformers 0.0017316017316017316 Crystallization 0.17142857142857143 DFTB Plus 0.005194805194805195 DMol3 0.3155844155844156 DPD 0.006493506493506494 Discover 0.02683982683982684 Equilibria 0.0 Forcite 0.41645021645021646 GULP 0.0329004329004329 LUDI 0.012554112554112554 LibDock 0.06147186147186147 LigandFit 0.0354978354978355 MCSS 0.003463203463203463 MODELER 0.15887445887445886 MesoDyn 0.004329004329004329 Mesocite 0.005627705627705628 Mesoscale 0.01471861471861472 Morphology 0.021645021645021644 Polymorph 0.007792207792207792 QMERA 8.658008658008658E-4 QSAR 0.003463203463203463 Quantum Mechanics 0.9294372294372294 Reflex 0.13333333333333333 Reflex Plus 0.011255411255411256 Semi-empirical 0.015151515151515152 Sorption 0.05367965367965368 Synthia 0.0021645021645021645 TURBOMOLE 4.329004329004329E-4 VAMP 0.008225108225108226 Visualization 0.8727272727272727 X-Cell 0.005194805194805195 ZDOCK 0.008658008658008658

Year

2001 0.0 2002 0.002152852529601722 2003 0.0 2004 0.016146393972012917 2005 0.017222820236813777 2006 0.03336921420882669 2007 0.03767491926803014 2008 0.04628632938643703 2009 0.06996770721205597 2010 0.0861141011840689 2011 0.116254036598493 2012 0.1377825618945102 2013 0.2518837459634015 2014 0.294940796555436 2015 0.3713670613562971 2016 0.2992465016146394 2017 0.3433799784714747 2018 0.4101184068891281 2019 0.5382131324004306 2020 0.6415500538213132 2021 0.7265877287405813 2022 0.7761033369214209 2023 0.8708288482238966 2024 1.0 2025 0.8934337997847147 2026 0.356297093649085

Keywords

synthesized 1.0 target 0.9672351885098743 synthesis 0.30430879712746856 novel 0.2223219628964692 docking 0.20421903052064633 potential 0.16726511071214842 visualization 0.1412327947336924 compound 0.13853979652902454 analysis 0.0933572710951526 between 0.0905146618791143 activity 0.087672052663076 designed 0.058797127468581685 design 0.052663076002393776 experimental 0.044584081388390186 promising 0.04413524835427887 binding 0.03770197486535009 potent 0.035607420706163975 inhibition 0.03321364452423698 energy 0.020795930580490726 vitro 0.018252543387193298 well 0.014961101137043686 chemical 0.010173548773189706 x-ray 0.008378216636744464 cell 0.0062836624775583485 active 0.0
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