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Application

Discovery Studio 0.6991758241758241 Materials Studio 1.0 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.09062003179650238 Amorphous Cell 0.10651828298887123 Antibody 0.0 Blends 0.001589825119236884 CASTEP 0.6454689984101749 CDOCKER 0.2559618441971383 CHARMm 0.3108108108108108 COMPASS 0.29093799682034976 COMPASS III 0.00397456279809221 COSMOconf 7.94912559618442E-4 COSMOtherm 0.033386327503974564 Catalyst 0.32591414944356123 Classical Simulations 0.9284578696343402 Conformers 0.0023847376788553257 Crystallization 0.15659777424483307 DFTB Plus 0.005564387917329093 DMol3 0.37201907790143085 DPD 0.007154213036565978 Discover 0.034976152623211444 Equilibria 0.0 Forcite 0.32829888712241656 GULP 0.04054054054054054 LUDI 0.011128775834658187 LibDock 0.04451510333863275 LigandFit 0.05643879173290938 MCSS 0.0 MODELER 0.18521462639109698 MesoDyn 0.00397456279809221 Mesocite 0.005564387917329093 Mesoscale 0.015103338632750398 Morphology 0.01589825119236884 Polymorph 0.007154213036565978 QMERA 7.94912559618442E-4 QSAR 0.003179650238473768 Quantum Mechanics 1.0 Reflex 0.12559618441971382 Reflex Plus 0.012718600953895072 Semi-empirical 0.017488076311605722 Sorption 0.04769475357710652 Synthia 0.0 TURBOMOLE 7.94912559618442E-4 VAMP 0.009538950715421303 Visualization 0.5961844197138315 X-Cell 0.00397456279809221 ZDOCK 0.007154213036565978

Year

2003 0.0 2004 0.024469820554649267 2005 0.026101141924959218 2006 0.05057096247960848 2007 0.057096247960848286 2008 0.09624796084828711 2009 0.1500815660685155 2010 0.16802610114192496 2011 0.19575856443719414 2012 0.2544861337683524 2013 0.31158238172920066 2014 0.45024469820554647 2015 0.5187601957585645 2016 0.3915171288743883 2017 0.3719412724306688 2018 0.44208809135399674 2019 0.19412724306688417 2020 0.4290375203915171 2021 0.3278955954323002 2022 1.0 2023 0.3637846655791191 2024 0.2544861337683524 2025 0.09135399673735727 2026 0.05546492659053834

Keywords

synthesized 1.0 target 0.9711104423713511 synthesis 0.29160397231417395 novel 0.20764369545591332 compound 0.13331327114053565 docking 0.12669274751730364 potential 0.10773397532350286 between 0.10442371351188685 activity 0.07553415588323804 designed 0.07402949142341259 visualization 0.07252482696358711 analysis 0.058380981041227804 experimental 0.049352994282275055 design 0.048149262714414685 potent 0.03851941017153175 medicinal 0.026482094492928078 chemical 0.02527836292506771 energy 0.022269034005416792 well 0.021366235329521515 x-ray 0.01865783930183569 binding 0.016250376166114956 inhibition 0.010532651218778213 promising 0.009629852542882938 catalyst 0.006018657839301836 vitro 0.0
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