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Application

Discovery Studio 1.0 Materials Studio 0.6100963135171039 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.05010330578512397 Amorphous Cell 0.1337809917355372 Blends 0.003615702479338843 CASTEP 0.3419421487603306 CDOCKER 0.21229338842975207 CHARMm 0.2515495867768595 COMPASS 0.2706611570247934 COMPASS III 0.0025826446280991736 COSMOconf 0.0 COSMOperm 0.0015495867768595042 COSMOquick 0.0015495867768595042 COSMOtherm 0.04442148760330578 Catalyst 0.07334710743801653 Classical Simulations 0.7179752066115702 Conformers 5.165289256198347E-4 Crystallization 0.05630165289256198 DFTB Plus 0.0030991735537190084 DMol3 0.15857438016528927 DPD 0.004132231404958678 Discover 0.009297520661157025 Forcite 0.27169421487603307 GULP 0.028409090909090908 LUDI 0.009297520661157025 LibDock 0.07179752066115702 LigandFit 0.017045454545454544 MCSS 0.0046487603305785125 MODELER 0.28047520661157027 MesoDyn 0.0030991735537190084 Mesocite 0.005165289256198347 Mesoscale 0.00981404958677686 Morphology 0.019111570247933883 ONETEP 0.002066115702479339 Polymorph 0.0010330578512396695 QMERA 0.0 QSAR 5.165289256198347E-4 Quantum Mechanics 0.48605371900826444 Reflex 0.035640495867768594 Reflex Plus 0.0015495867768595042 Semi-empirical 0.009297520661157025 Sorption 0.02427685950413223 Synthia 0.0 TURBOMOLE 0.0 VAMP 0.005165289256198347 Visualization 1.0 X-Cell 0.0 ZDOCK 0.03460743801652893

Year

2021 0.0

Keywords

target 1.0 visualization 0.288306914771422 docking 0.24879393521709167 potential 0.19848380427291523 analysis 0.1465655869515277 between 0.14059269469331495 novel 0.0957960027567195 binding 0.08706639099471629 activity 0.07512060647829083 protein 0.04962095106822881 interaction 0.04939122444291293 well 0.033310360670801745 experimental 0.028715828164484265 synthesized 0.023661842407535032 drug 0.021364576154376293 energy 0.01608086377211119 synthesis 0.01608086377211119 compound 0.014702504020215943 cell 0.013553870893636572 mechanism 0.009878244888582587 inhibition 0.007351252010107972 chemical 0.004594532506317482 vitro 0.002297266253158741 silico 6.891798759476223E-4 development 0.0
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