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Application

Discovery Studio 0.9986411889596603 Materials Studio 1.0 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.06594011448701012 Amorphous Cell 0.277520915896081 Blends 0.0024218405988551297 CASTEP 0.38331131660061646 CDOCKER 0.16479524438573315 CHARMm 0.2619991193306913 COMPASS 0.3560105680317041 COMPASS III 0.08696609423161603 COSMObase 0.003852928225451343 COSMOconf 0.004623513870541612 COSMOmic 1.1008366358432408E-4 COSMOperm 0.0014310876265962132 COSMOplex 2.2016732716864817E-4 COSMOquick 0.0015411712901805372 COSMOtherm 0.063518273888155 Cantera 0.0 Catalyst 0.11933069132540731 Classical Simulations 1.0 Conformers 6.605019815059445E-4 Crystallization 0.07276530162923822 DFTB Plus 0.005614266842800529 DMol3 0.16930867459269044 DPD 0.002531924262439454 Discover 0.0033025099075297227 Forcite 0.5328049317481286 GULP 0.022787318361955085 Kinetix 2.2016732716864817E-4 LUDI 0.004183179216204315 LibDock 0.07056362835755174 LigandFit 0.005063848524878908 MCSS 5.504183179216205E-4 MODELER 0.20035226772346984 MesoDyn 8.806693086745927E-4 Mesocite 0.0031924262439453985 Mesoscale 0.006164685160722149 Modules 0.0 Morphology 0.017393218846323204 ONETEP 0.001100836635843241 Polymorph 0.0019815059445178335 QMERA 1.1008366358432408E-4 QSAR 9.907529722589167E-4 Quantum Mechanics 0.5418317921620431 Reflex 0.05261999119330691 Reflex Plus 9.907529722589167E-4 Semi-empirical 0.0071554381329810655 Sorption 0.056913254073095554 Synthia 0.0014310876265962132 TURBOMOLE 5.504183179216205E-4 VAMP 0.0012109202994275649 Visualization 0.8192426243945399 X-Cell 0.0014310876265962132 ZDOCK 0.028071334214002642

Year

2022 0.004276169265033407 2023 0.3270378619153675 2024 0.5419153674832962 2025 1.0 2026 0.3787082405345212 2027 0.0

Keywords

target 1.0 potential 0.2904576436222006 docking 0.22585199610516066 visualization 0.20399221032132425 analysis 0.19931840311587148 between 0.15598831548198636 novel 0.10540408958130477 energy 0.08831548198636806 binding 0.07624148003894839 promising 0.06684518013631938 cell 0.06504381694255112 activity 0.0560856864654333 stability 0.04011684518013632 interaction 0.03549172346640701 performance 0.03300876338851022 synthesized 0.0315968841285297 experimental 0.02994157740993184 development 0.02278481012658228 effective 0.02249269717624148 including 0.021324245374878287 mechanism 0.02112950340798442 protein 0.020642648490749756 synthesis 0.013583252190847127 design 0.005063291139240506 chemical 0.0
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