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Application

Discovery Studio 0.40744157441574413 Materials Studio 1.0 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.036065573770491806 Amorphous Cell 0.1433255269320843 Blends 0.003278688524590164 CASTEP 0.6028103044496487 CDOCKER 0.08852459016393442 CHARMm 0.17423887587822015 COMPASS 0.25245901639344265 COMPASS III 0.001405152224824356 COSMObase 0.0 COSMOconf 9.36768149882904E-4 COSMOmic 9.36768149882904E-4 COSMOperm 0.0 COSMOplex 0.0 COSMOquick 9.36768149882904E-4 COSMOtherm 0.08243559718969555 Catalyst 0.1578454332552693 Classical Simulations 0.7405152224824356 Conformers 0.002810304449648712 Crystallization 0.07072599531615925 DFTB Plus 0.00468384074941452 DMol3 0.40796252927400467 DPD 0.011241217798594848 Discover 0.06135831381733021 Forcite 0.21873536299765808 GULP 0.13208430913348945 LUDI 0.014988290398126464 LibDock 0.036065573770491806 LigandFit 0.03185011709601874 MCSS 0.001873536299765808 MODELER 0.2154566744730679 MesoDyn 0.007962529274004685 Mesocite 0.004215456674473068 Mesoscale 0.02107728337236534 Morphology 0.01405152224824356 ONETEP 0.002810304449648712 Polymorph 0.004215456674473068 QMERA 0.0 QSAR 0.005620608899297424 Quantum Mechanics 1.0 Reflex 0.05105386416861827 Reflex Plus 0.003747072599531616 Semi-empirical 0.00936768149882904 Sorption 0.02763466042154567 Synthia 0.002810304449648712 TURBOMOLE 0.003278688524590164 VAMP 0.003747072599531616 Visualization 0.297423887587822 X-Cell 0.006088992974238876 ZDOCK 0.013114754098360656

Year

2003 0.0 2004 0.058355437665782495 2005 0.08620689655172414 2006 0.14323607427055704 2007 0.16710875331564987 2008 0.2427055702917772 2009 0.29310344827586204 2010 0.38992042440318303 2011 0.4005305039787798 2012 0.46153846153846156 2013 0.3183023872679045 2014 0.22679045092838196 2015 0.3912466843501326 2016 0.3249336870026525 2017 0.3448275862068966 2018 0.20689655172413793 2019 0.07161803713527852 2020 0.34748010610079577 2021 0.2493368700265252 2022 1.0 2023 0.09814323607427056 2024 0.16180371352785147 2025 0.03580901856763926 2026 0.006631299734748011

Keywords

well 1.0 target 0.9358664616736218 between 0.21370524928618492 experimental 0.19240061497913463 energy 0.14803426312321546 potential 0.10432681748297826 analysis 0.08170437074456402 chemical 0.07555457939819898 surface 0.055128486712057986 interaction 0.04568416428728311 binding 0.037118383483417526 novel 0.03360421699978036 cell 0.028772238084779266 docking 0.021963540522732264 visualization 0.01822973863386778 applied 0.014495936745003294 activity 0.004831978915001098 protein 0.004392708104546453 temperature 0.0035141664836371624 formation 0.002415989457500549 mechanism 0.0015374478365912585 including 8.785416209092906E-4 role 8.785416209092906E-4 crystal 6.58906215681968E-4 adsorption 0.0
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