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Application

Discovery Studio 0.7448453608247423 Materials Studio 1.0 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.10463121783876501 Amorphous Cell 0.1377930245854774 Antibody 0.0 Blends 0.002287021154945683 CASTEP 0.6712407089765581 CDOCKER 0.241852487135506 CHARMm 0.259576901086335 COMPASS 0.3190394511149228 COMPASS III 0.020011435105774727 COSMOmic 0.0 COSMOperm 0.0 COSMOquick 5.717552887364208E-4 COSMOtherm 0.040022870211549454 Catalyst 0.26357918810749 Classical Simulations 0.9148084619782733 Conformers 0.0011435105774728416 Crystallization 0.1841052029731275 DFTB Plus 0.007432818753573471 DMol3 0.34762721555174386 DPD 0.010291595197255575 Discover 0.03430531732418525 Forcite 0.3865065751858205 GULP 0.03201829616923957 LUDI 0.010291595197255575 LibDock 0.05717552887364208 LigandFit 0.022870211549456832 MCSS 0.003430531732418525 MODELER 0.12464265294453973 MesoDyn 0.002858776443682104 Mesocite 0.0017152658662092624 Mesoscale 0.014865637507146942 Morphology 0.022298456260720412 ONETEP 5.717552887364208E-4 Polymorph 0.004002287021154946 QMERA 0.0 QSAR 0.0017152658662092624 Quantum Mechanics 1.0 Reflex 0.14922813036020582 Reflex Plus 0.011435105774728416 Semi-empirical 0.016009148084619784 Sorption 0.0440251572327044 Synthia 0.002858776443682104 TURBOMOLE 0.0 VAMP 0.007432818753573471 Visualization 0.7958833619210978 X-Cell 0.004574042309891366 ZDOCK 0.003430531732418525

Year

2004 0.0 2005 0.008403361344537815 2006 0.02100840336134454 2007 0.025210084033613446 2008 0.0392156862745098 2009 0.04341736694677871 2010 0.06302521008403361 2011 0.07282913165266107 2012 0.12044817927170869 2013 0.21708683473389356 2014 0.2857142857142857 2015 0.3543417366946779 2016 0.39915966386554624 2017 0.47478991596638653 2018 0.5070028011204482 2019 0.7002801120448179 2020 0.6624649859943977 2021 0.5602240896358543 2022 0.957983193277311 2023 1.0 2024 0.6974789915966386 2025 0.4635854341736695 2026 0.02100840336134454

Keywords

synthesized 1.0 target 0.9724052718286655 synthesis 0.30518945634266886 novel 0.2049011532125206 docking 0.1700988467874794 compound 0.14435749588138386 potential 0.13550247116968697 visualization 0.12829489291598023 between 0.09184514003294893 activity 0.08957990115321252 analysis 0.07990115321252059 designed 0.06898682042833608 experimental 0.06589785831960461 design 0.05045304777594728 energy 0.03480230642504119 binding 0.02656507413509061 promising 0.022034596375617794 potent 0.021210873146622736 well 0.02059308072487644 x-ray 0.019975288303130147 vitro 0.014209225700164745 chemical 0.012767710049423394 inhibition 0.009472817133443162 cell 0.006589785831960461 active 0.0
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