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Application

Discovery Studio 1.0 Materials Studio 0.9125337206889396 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.06759784881983866 Amorphous Cell 0.2561248879593666 Antibody 2.24081266806095E-4 Blends 0.002763668957275172 CASTEP 0.42388706304152973 CDOCKER 0.19920824619061847 CHARMm 0.29302360322677024 COMPASS 0.3595010457125784 COMPASS III 0.05855990439199283 COSMObase 0.00268897520167314 COSMOconf 0.002763668957275172 COSMOmic 1.4938751120406333E-4 COSMOperm 0.0012697938452345384 COSMOplex 3.7346877801015837E-4 COSMOquick 0.001568568867642665 COSMOtherm 0.06834478637585897 Cantera 0.0 Catalyst 0.16186136838960263 Classical Simulations 1.0 Conformers 0.00134448760083657 Crystallization 0.07297579922318494 DFTB Plus 0.00627427547057066 DMol3 0.200478040035853 DPD 0.003659994024499552 Discover 0.007394681804601135 Forcite 0.4964893934867045 GULP 0.02987750224081267 Kinetix 7.469375560203167E-5 LUDI 0.008365700627427548 LibDock 0.07484314311323573 LigandFit 0.01695548252166119 MCSS 0.0019420376456528235 MODELER 0.2603824320286824 MesoDyn 0.0018673438900507918 Mesocite 0.00492978786973409 Mesoscale 0.0089632506722438 Modules 0.0 Morphology 0.01703017627726322 ONETEP 0.0016432626232446967 Polymorph 0.0023902001792650133 QMERA 3.7346877801015837E-4 QSAR 0.00179265013444876 Quantum Mechanics 0.6112190020914252 Reflex 0.05370481027786077 Reflex Plus 9.710188228264117E-4 Reflex QPA 0.0 Semi-empirical 0.00941141320585599 Sorption 0.05086644756498357 Synthia 0.0011951000896325067 TURBOMOLE 5.975500448162533E-4 VAMP 0.0026142814460711084 Visualization 0.8553181953988647 X-Cell 0.001120406334030475 ZDOCK 0.0327905587092919

Year

2014 0.0 2015 0.035127423005018206 2016 0.07320673029617239 2017 0.08383351372626192 2018 0.09701859687100266 2019 0.1079405687297058 2020 0.12220800944602972 2021 0.22837744760405393 2022 0.4314670864902096 2023 0.5818163927974024 2024 0.8225917544032274 2025 1.0 2026 0.3194922759027846

Keywords

target 1.0 potential 0.23331910222005367 docking 0.20291534520614785 visualization 0.19169309587704317 analysis 0.16174676750426933 between 0.15131739448646012 novel 0.10161014881678458 binding 0.07108441083191022 energy 0.07026103927787265 activity 0.05745303732617712 cell 0.05007318858258112 interaction 0.03799707245669676 promising 0.035892900707489635 experimental 0.027445718467919003 synthesized 0.026378384971944377 protein 0.022932422542083435 mechanism 0.018266650402537204 stability 0.012076116125884362 development 0.011039277872651866 synthesis 0.010063430104903634 chemical 0.003598438643571603 effective 0.003506952915345206 design 7.623810685533057E-4 including 9.148572822639669E-5 well 0.0
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