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Application

Discovery Studio 0.7132927888792354 Materials Studio 1.0 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.10273466371027347 Amorphous Cell 0.10938654841093866 Antibody 0.0 Blends 0.0022172949002217295 CASTEP 0.6585365853658537 CDOCKER 0.2727272727272727 CHARMm 0.30450849963045085 COMPASS 0.28085735402808576 COMPASS III 0.010347376201034738 COSMOconf 7.390983000739098E-4 COSMOperm 0.0 COSMOquick 7.390983000739098E-4 COSMOtherm 0.03547671840354767 Catalyst 0.3333333333333333 Classical Simulations 0.8898743532889875 Conformers 0.0 Crystallization 0.15594974131559497 DFTB Plus 0.005912786400591279 DMol3 0.360679970436068 DPD 0.008130081300813009 Discover 0.028085735402808575 Forcite 0.3237250554323725 GULP 0.032520325203252036 LUDI 0.012564671101256468 LibDock 0.0450849963045085 LigandFit 0.050997782705099776 MCSS 0.0022172949002217295 MODELER 0.17590539541759054 MesoDyn 0.004434589800443459 Mesocite 0.004434589800443459 Mesoscale 0.016260162601626018 Morphology 0.015521064301552107 Polymorph 0.005173688100517369 QMERA 0.0014781966001478197 QSAR 0.0029563932002956393 Quantum Mechanics 1.0 Reflex 0.12564671101256467 Reflex Plus 0.011086474501108648 Semi-empirical 0.021433850702143386 Sorption 0.04360679970436068 Synthia 7.390983000739098E-4 TURBOMOLE 7.390983000739098E-4 VAMP 0.012564671101256468 Visualization 0.5772357723577236 X-Cell 0.005173688100517369 ZDOCK 0.007390983000739098

Year

2003 0.0 2004 0.025167785234899327 2005 0.026845637583892617 2006 0.05201342281879195 2007 0.0587248322147651 2008 0.09899328859060402 2009 0.15436241610738255 2010 0.17281879194630873 2011 0.20302013422818793 2012 0.25671140939597314 2013 0.4848993288590604 2014 0.401006711409396 2015 0.35570469798657717 2016 0.41778523489932884 2017 0.5788590604026845 2018 0.5268456375838926 2019 0.25671140939597314 2020 0.38926174496644295 2021 0.4278523489932886 2022 1.0 2023 0.5620805369127517 2024 0.13590604026845637 2025 0.18456375838926176 2026 0.06208053691275168

Keywords

synthesized 1.0 target 0.9711620016963528 synthesis 0.2926208651399491 novel 0.20497596833474696 compound 0.1359909527848459 docking 0.12694373763076053 potential 0.11506926774102347 between 0.09132032796154933 activity 0.07774950523042126 designed 0.07577042691546508 analysis 0.06615776081424936 visualization 0.0658750353406842 experimental 0.06304778060503251 design 0.0489115069267741 potent 0.034209782301385355 medicinal 0.026293469041560644 energy 0.023183488832343793 well 0.023183488832343793 inhibition 0.021487135990952786 x-ray 0.019225332202431437 promising 0.016680802940344925 chemical 0.016115351993214587 binding 0.009895391574780888 catalyst 0.006219960418433701 vitro 0.0
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