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Application

Discovery Studio 1.0 Materials Studio 0.7922077922077922 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.0597667638483965 Amorphous Cell 0.0728862973760933 CASTEP 0.4446064139941691 CDOCKER 0.34839650145772594 CHARMm 0.4518950437317784 COMPASS 0.21865889212827988 COMPASS III 0.0029154518950437317 COSMObase 0.0 COSMOquick 0.0 COSMOtherm 0.043731778425655975 Catalyst 0.45481049562682213 Classical Simulations 1.0 Conformers 0.004373177842565598 Crystallization 0.13556851311953352 DFTB Plus 0.0014577259475218659 DMol3 0.37755102040816324 DPD 0.004373177842565598 Discover 0.027696793002915453 Forcite 0.27696793002915454 GULP 0.09620991253644315 LUDI 0.021865889212827987 LibDock 0.04956268221574344 LigandFit 0.09183673469387756 MCSS 0.0 MODELER 0.32215743440233235 MesoDyn 0.0058309037900874635 Mesocite 0.004373177842565598 Mesoscale 0.014577259475218658 Morphology 0.014577259475218658 Polymorph 0.0029154518950437317 QMERA 0.0 QSAR 0.0014577259475218659 Quantum Mechanics 0.8061224489795918 Reflex 0.11078717201166181 Reflex Plus 0.007288629737609329 Semi-empirical 0.013119533527696793 Sorption 0.018950437317784258 Synthia 0.0 TURBOMOLE 0.0 VAMP 0.008746355685131196 Visualization 0.8104956268221575 X-Cell 0.0058309037900874635 ZDOCK 0.0058309037900874635

Year

2003 0.0 2004 0.0425531914893617 2005 0.03951367781155015 2006 0.0911854103343465 2007 0.14285714285714285 2008 0.16109422492401215 2009 0.21580547112462006 2010 0.2066869300911854 2011 0.19148936170212766 2012 0.0911854103343465 2013 0.3525835866261398 2014 0.5866261398176292 2015 0.817629179331307 2016 0.46200607902735563 2017 0.1945288753799392 2018 0.2887537993920973 2019 0.12158054711246201 2020 0.5319148936170213 2021 0.4133738601823708 2022 1.0 2023 0.182370820668693 2024 0.4133738601823708 2025 0.1276595744680851 2026 0.0364741641337386

Keywords

synthesis 1.0 target 0.9625935162094763 synthesized 0.3531172069825436 novel 0.2314214463840399 docking 0.1745635910224439 design 0.14812967581047382 compound 0.13865336658354116 activity 0.13316708229426433 potential 0.13117206982543642 visualization 0.12967581047381546 between 0.07780548628428928 medicinal 0.07082294264339152 potent 0.06783042394014963 catalyst 0.04937655860349127 analysis 0.04339152119700748 binding 0.0428927680798005 designed 0.040897755610972565 chemical 0.038403990024937655 experimental 0.023940149625935162 vitro 0.023940149625935162 inhibition 0.021945137157107233 active 0.016458852867830425 promising 0.008977556109725686 well 0.006982543640897756 energy 0.0
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