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Application

Discovery Studio 1.0 Materials Studio 0.4023285899094437 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.04907459338194055 Amorphous Cell 0.1074032529444756 Blends 2.8042624789680314E-4 CASTEP 0.26500280426247896 CDOCKER 0.21031968592260236 CHARMm 0.3485698261357263 COMPASS 0.16489063376332025 COMPASS III 0.040100953449242846 COSMObase 0.0028042624789680315 COSMOconf 0.0030846887268648347 COSMOperm 8.412787436904094E-4 COSMOquick 0.0 COSMOtherm 0.049635445877734156 Catalyst 0.15367358384744811 Classical Simulations 0.6977005047672462 Conformers 2.8042624789680314E-4 Crystallization 0.03224901850813236 DFTB Plus 0.001962983735277622 DMol3 0.11020751542344363 DPD 5.608524957936063E-4 Discover 0.002243409983174425 Forcite 0.2333146382501402 GULP 0.014021312394840156 Kinetix 5.608524957936063E-4 LUDI 0.003925967470555244 LibDock 0.09674705552439708 LigandFit 0.0061693774537296695 MCSS 2.8042624789680314E-4 MODELER 0.2557487380818845 Mesocite 2.8042624789680314E-4 Mesoscale 0.0011217049915872126 Morphology 0.007291082445316881 ONETEP 5.608524957936063E-4 Polymorph 0.0011217049915872126 QMERA 2.8042624789680314E-4 QSAR 5.608524957936063E-4 Quantum Mechanics 0.3670779584969153 Reflex 0.023555804823331465 Semi-empirical 0.0036455412226584407 Sorption 0.0269209197980931 Synthia 0.0 TURBOMOLE 2.8042624789680314E-4 VAMP 8.412787436904094E-4 Visualization 1.0 X-Cell 8.412787436904094E-4 ZDOCK 0.03140773976444195

Year

2021 0.0 2022 0.13083604777415853 2023 0.3314332247557003 2024 0.8078175895765473 2025 1.0 2026 0.2293702497285559 2027 2.714440825190011E-4

Keywords

potential 1.0 target 0.9522807940055212 docking 0.39240173524385435 analysis 0.27343236492704087 visualization 0.2604180360194558 binding 0.13868805047982122 novel 0.12817142105955043 promising 0.10648087288024188 between 0.08755093992375444 activity 0.08294991455238596 therapeutic 0.06664913895096622 protein 0.06349415012488498 silico 0.04469567503615091 drug 0.038385697383988435 vitro 0.038385697383988435 including 0.03523070855790719 stability 0.03286446693834626 compound 0.022216379650322072 treatment 0.021296174576048377 development 0.019718680163007755 interaction 0.01695806494018667 inhibition 0.012619955304324963 effective 0.008807677139476798 energy 6.572893387669252E-4 synthesized 0.0
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