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Application

Discovery Studio 1.0 Materials Studio 0.6729074889867841 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.048638132295719845 Amorphous Cell 0.11284046692607004 Blends 0.00324254215304799 CASTEP 0.43060959792477305 CDOCKER 0.35084306095979245 CHARMm 0.5311284046692607 COMPASS 0.22827496757457846 COMPASS III 0.008430609597924773 COSMObase 0.0 COSMOconf 6.485084306095979E-4 COSMOmic 0.0 COSMOquick 0.0012970168612191958 COSMOtherm 0.0654993514915694 Catalyst 0.5505836575875487 Classical Simulations 1.0 Conformers 0.0012970168612191958 Crystallization 0.08171206225680934 DFTB Plus 0.0012970168612191958 DMol3 0.29442282749675747 DPD 0.010376134889753566 Discover 0.027885862516212712 Forcite 0.24319066147859922 GULP 0.04409857328145266 LUDI 0.05317769130998703 LibDock 0.09987029831387809 LigandFit 0.11543450064850844 MCSS 0.00648508430609598 MODELER 0.4980544747081712 MesoDyn 0.0038910505836575876 Mesocite 0.005836575875486381 Mesoscale 0.017509727626459144 Morphology 0.013618677042801557 ONETEP 0.0038910505836575876 Polymorph 0.005188067444876783 QMERA 0.0 QSAR 0.0038910505836575876 Quantum Mechanics 0.7159533073929961 Reflex 0.06355382619974059 Reflex Plus 0.0019455252918287938 Reflex QPA 0.0 Semi-empirical 0.005188067444876783 Sorption 0.023346303501945526 Synthia 6.485084306095979E-4 TURBOMOLE 0.0025940337224383916 VAMP 0.0025940337224383916 Visualization 0.5953307392996109 X-Cell 0.007782101167315175 ZDOCK 0.04085603112840467

Year

2003 0.0 2004 0.01300578034682081 2005 0.024566473988439308 2006 0.04335260115606936 2007 0.059248554913294796 2008 0.11127167630057803 2009 0.13728323699421965 2010 0.2239884393063584 2011 0.16907514450867053 2012 0.18786127167630057 2013 0.4393063583815029 2014 0.5072254335260116 2015 0.615606936416185 2016 0.6184971098265896 2017 0.6979768786127167 2018 0.5072254335260116 2019 0.09248554913294797 2020 0.3815028901734104 2021 0.2832369942196532 2022 1.0 2023 0.2239884393063584 2024 0.27890173410404623 2025 0.13005780346820808 2026 0.04046242774566474

Keywords

novel 1.0 target 0.9641740803077663 potential 0.16013464775186342 docking 0.15268093291656648 synthesized 0.110603510459245 synthesis 0.0968982928588603 activity 0.09497475354652561 between 0.08054820870401538 design 0.07525847559509498 analysis 0.06251502765087762 compound 0.061553257994710266 catalyst 0.05602308247174802 binding 0.055542197643664346 visualization 0.054580427987496995 potent 0.029093532099062274 development 0.028131762442894927 chemical 0.026208223130560232 modeler 0.015388314498677566 well 0.015388314498677566 protein 0.010579466217840828 cell 0.005770617937004088 promising 0.005770617937004088 inhibition 0.002885308968502044 energy 7.21327242125511E-4 medicinal 0.0
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