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Application

Discovery Studio 1.0 Materials Studio 0.3160348672207582 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.036036036036036036 Amorphous Cell 0.11974474474474474 Blends 0.0018768768768768769 CASTEP 0.15915915915915915 CDOCKER 0.22297297297297297 CHARMm 0.3581081081081081 COMPASS 0.18768768768768768 COMPASS III 0.019144144144144143 COSMObase 3.7537537537537537E-4 COSMOconf 0.0 COSMOperm 3.7537537537537537E-4 COSMOquick 0.0 COSMOtherm 0.020645645645645645 Catalyst 0.15052552552552553 Classical Simulations 0.6963213213213213 Conformers 3.7537537537537537E-4 Crystallization 0.03903903903903904 DFTB Plus 0.0037537537537537537 DMol3 0.07657657657657657 DPD 0.0015015015015015015 Forcite 0.23873873873873874 GULP 0.013888888888888888 Kinetix 0.0 LUDI 0.0037537537537537537 LibDock 0.09534534534534535 LigandFit 0.006756756756756757 MCSS 0.0011261261261261261 MODELER 0.33896396396396394 MesoDyn 0.0011261261261261261 Mesocite 0.0018768768768768769 Mesoscale 0.0045045045045045045 Morphology 0.008633633633633633 ONETEP 0.0 Polymorph 3.7537537537537537E-4 QMERA 0.0 Quantum Mechanics 0.23385885885885885 Reflex 0.02927927927927928 Semi-empirical 0.005255255255255256 Sorption 0.0228978978978979 Synthia 7.507507507507507E-4 TURBOMOLE 7.507507507507507E-4 VAMP 7.507507507507507E-4 Visualization 1.0 X-Cell 0.0 ZDOCK 0.03753753753753754

Year

2024 0.0

Keywords

target 1.0 docking 0.39281767955801106 potential 0.3556169429097606 visualization 0.2983425414364641 analysis 0.23222836095764274 binding 0.1432780847145488 novel 0.12081031307550645 activity 0.10552486187845304 between 0.10515653775322284 protein 0.08600368324125231 promising 0.04567219152854512 vitro 0.03885819521178637 interaction 0.03812154696132597 silico 0.03664825046040516 drug 0.024677716390423574 synthesis 0.02302025782688766 compound 0.01970534069981584 synthesized 0.01141804788213628 treatment 0.010681399631675874 therapeutic 0.00865561694290976 development 0.008287292817679558 inhibition 0.005893186003683241 effective 0.0016574585635359116 including 9.208103130755065E-4 cell 0.0
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