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Application

Discovery Studio 0.6494785631517961 Materials Studio 1.0 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.08436724565756824 Amorphous Cell 0.10918114143920596 Antibody 0.0 Blends 0.0034739454094292804 CASTEP 0.6486352357320099 CDOCKER 0.24615384615384617 CHARMm 0.25905707196029776 COMPASS 0.2823821339950372 COMPASS III 0.00794044665012407 COSMOconf 4.962779156327543E-4 COSMOtherm 0.03176178660049628 Catalyst 0.2794044665012407 Classical Simulations 0.8540942928039702 Conformers 0.001488833746898263 Crystallization 0.15831265508684864 DFTB Plus 0.005955334987593052 DMol3 0.36823821339950374 DPD 0.008933002481389578 Discover 0.03722084367245657 Equilibria 0.0 Forcite 0.32655086848635234 GULP 0.034739454094292806 LUDI 0.00794044665012407 LibDock 0.044168734491315136 LigandFit 0.03771712158808933 MCSS 0.0024813895781637717 MODELER 0.15732009925558313 MesoDyn 0.0034739454094292804 Mesocite 0.003970223325062035 Mesoscale 0.01488833746898263 Morphology 0.017369727047146403 ONETEP 0.0 Polymorph 0.005955334987593052 QMERA 9.925558312655087E-4 QSAR 0.002977667493796526 Quantum Mechanics 1.0 Reflex 0.12555831265508685 Reflex Plus 0.01240694789081886 Semi-empirical 0.017866004962779156 Sorption 0.046153846153846156 Synthia 0.001488833746898263 TURBOMOLE 4.962779156327543E-4 VAMP 0.009925558312655087 Visualization 0.569727047146402 X-Cell 0.005459057071960298 ZDOCK 0.006947890818858561

Year

2003 0.0 2004 0.02225519287833828 2005 0.02373887240356083 2006 0.04599406528189911 2007 0.05192878338278932 2008 0.08753709198813056 2009 0.13649851632047477 2010 0.15281899109792285 2011 0.17804154302670624 2012 0.23590504451038577 2013 0.4258160237388724 2014 0.5771513353115727 2015 0.7344213649851632 2016 0.5934718100890207 2017 0.6691394658753709 2018 0.7403560830860534 2019 0.6023738872403561 2020 0.6513353115727003 2021 0.38724035608308605 2022 1.0 2023 0.857566765578635 2024 0.39317507418397624 2025 0.0830860534124629 2026 0.050445103857566766

Keywords

synthesized 1.0 target 0.9702989771833203 synthesis 0.28422501966955155 novel 0.19571203776553894 compound 0.12785208497246262 docking 0.12332808811959087 potential 0.10208497246262785 between 0.10169158143194335 activity 0.07061369000786782 visualization 0.06963021243115657 designed 0.06471282454760031 analysis 0.05625491738788355 experimental 0.04956726986624705 design 0.045043273013375296 potent 0.027340676632572777 x-ray 0.02675059008654603 energy 0.025963808025177025 well 0.024390243902439025 chemical 0.016915814319433516 promising 0.012195121951219513 binding 0.010424862313139261 medicinal 0.006294256490952006 inhibition 0.0051140833988985055 crystal 0.0011801730920535012 cell 0.0
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