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Application

Discovery Studio 0.9888888888888889 Materials Studio 1.0 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.06403940886699508 Amorphous Cell 0.29064039408866993 Blends 0.0024630541871921183 CASTEP 0.33497536945812806 CDOCKER 0.16091954022988506 CHARMm 0.27011494252873564 COMPASS 0.33825944170771755 COMPASS III 0.10303776683087028 COSMObase 0.00451559934318555 COSMOconf 0.005747126436781609 COSMOperm 4.1050903119868636E-4 COSMOquick 0.0012315270935960591 COSMOtherm 0.06280788177339902 Catalyst 0.07389162561576355 Classical Simulations 1.0 Conformers 0.0 Crystallization 0.06855500821018062 DFTB Plus 4.1050903119868636E-4 DMol3 0.1506568144499179 DPD 0.0016420361247947454 Discover 0.005747126436781609 Forcite 0.5262725779967159 GULP 0.017651888341543513 LUDI 0.00451559934318555 LibDock 0.06978653530377668 LigandFit 0.003694581280788177 MCSS 8.210180623973727E-4 MODELER 0.2467159277504105 MesoDyn 8.210180623973727E-4 Mesocite 0.0028735632183908046 Mesoscale 0.005336617405582923 Morphology 0.015188834154351396 ONETEP 0.0 Polymorph 0.0012315270935960591 QMERA 0.0 QSAR 8.210180623973727E-4 Quantum Mechanics 0.4745484400656814 Reflex 0.051313628899835796 Reflex Plus 0.0 Semi-empirical 0.0024630541871921183 Sorption 0.050492610837438424 Synthia 4.1050903119868636E-4 TURBOMOLE 0.0 VAMP 0.0012315270935960591 Visualization 0.6982758620689655 X-Cell 0.002052545155993432 ZDOCK 0.031609195402298854

Year

2024 0.4368509212730318 2025 1.0 2026 0.7031825795644892 2027 0.0

Keywords

target 1.0 potential 0.30378486055776893 docking 0.21932270916334662 analysis 0.2149402390438247 visualization 0.16235059760956175 between 0.14760956175298806 novel 0.09681274900398407 promising 0.08306772908366535 binding 0.0750996015936255 energy 0.07270916334661355 cell 0.0649402390438247 activity 0.04860557768924303 stability 0.039442231075697214 performance 0.035657370517928284 including 0.02111553784860558 strong 0.018127490039840637 experimental 0.014940239043824702 effective 0.014342629482071713 development 0.014143426294820717 mechanism 0.012749003984063745 enhanced 0.012350597609561753 interaction 0.00796812749003984 synthesized 0.007370517928286853 design 0.00398406374501992 protein 0.0
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