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Application

Discovery Studio 0.9678238780694327 Materials Studio 1.0 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.04746835443037975 Amorphous Cell 0.09936708860759494 Antibody 0.0 Blends 0.005063291139240506 CASTEP 0.6379746835443038 CDOCKER 0.2537974683544304 CHARMm 0.4151898734177215 COMPASS 0.21265822784810126 COMPASS III 0.00949367088607595 COSMObase 0.0 COSMOconf 6.329113924050633E-4 COSMOmic 6.329113924050633E-4 COSMOquick 0.0031645569620253164 COSMOtherm 0.09683544303797469 Catalyst 0.369620253164557 Classical Simulations 0.9677215189873418 Conformers 0.0 Crystallization 0.060759493670886074 DFTB Plus 0.0018987341772151898 DMol3 0.37088607594936707 DPD 0.005063291139240506 Discover 0.025949367088607594 Forcite 0.2449367088607595 GULP 0.13227848101265824 LUDI 0.03291139240506329 LibDock 0.07911392405063292 LigandFit 0.0949367088607595 MCSS 0.0037974683544303796 MODELER 0.40569620253164557 MesoDyn 0.002531645569620253 Mesocite 0.002531645569620253 Mesoscale 0.01139240506329114 Morphology 0.01139240506329114 ONETEP 0.007594936708860759 Polymorph 0.004430379746835443 QSAR 0.0 Quantum Mechanics 1.0 Reflex 0.04113924050632911 Reflex Plus 0.002531645569620253 Reflex QPA 0.0 Semi-empirical 0.008227848101265823 Sorption 0.02531645569620253 TURBOMOLE 0.0012658227848101266 VAMP 0.005063291139240506 Visualization 0.6069620253164557 X-Cell 0.0012658227848101266 ZDOCK 0.024050632911392405

Year

2003 0.0 2004 0.027510316368638238 2005 0.033012379642365884 2006 0.0907840440165062 2007 0.09766162310866575 2008 0.1843191196698762 2009 0.21045392022008252 2010 0.2407152682255846 2011 0.1485557083906465 2012 0.15818431911966988 2013 0.3878954607977992 2014 0.43878954607977994 2015 0.5213204951856947 2016 0.43878954607977994 2017 0.3466299862448418 2018 0.30949105914718017 2019 0.1031636863823934 2020 0.4442916093535076 2021 0.3603851444291609 2022 1.0 2023 0.2723521320495186 2024 0.45529573590096284 2025 0.15543328748280605 2026 0.05639614855570839

Keywords

potential 1.0 target 0.9492964038418584 docking 0.1545677909314273 between 0.13826222917132008 novel 0.11815948179584543 energy 0.10565110565110565 analysis 0.10341746705383069 visualization 0.07549698458789368 binding 0.07371007371007371 activity 0.06678579405852134 experimental 0.06410542774179138 well 0.0627652445834264 chemical 0.04355595264686174 interaction 0.027473754746482018 protein 0.0227831136922046 synthesized 0.018092472637927185 compound 0.016975653339289704 design 0.015635470180924725 drug 0.015188742461469734 catalyst 0.014518650882287246 development 0.013401831583649765 synthesis 0.006477551932097387 inhibition 0.00513736877373241 promising 0.0037971856153674335 modeler 0.0
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