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Application

Discovery Studio 0.9075636942675159 Materials Studio 1.0 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.0687394247038917 Amorphous Cell 0.2837351945854484 Blends 0.002643824027072758 CASTEP 0.39318950930626057 CDOCKER 0.15651438240270726 CHARMm 0.24640439932318106 COMPASS 0.3698181049069374 COMPASS III 0.0830160744500846 COSMObase 0.00338409475465313 COSMOconf 0.004230118443316413 COSMOmic 1.0575296108291032E-4 COSMOperm 0.0013747884940778343 COSMOplex 2.1150592216582064E-4 COSMOquick 0.0014805414551607445 COSMOtherm 0.0645093062605753 Cantera 0.0 Catalyst 0.11304991539763114 Classical Simulations 1.0 Conformers 9.517766497461929E-4 Crystallization 0.07719966159052453 DFTB Plus 0.006133671742808798 DMol3 0.1785109983079526 DPD 0.002961082910321489 Discover 0.0031725888324873096 Forcite 0.5451565143824028 GULP 0.024323181049069373 Kinetix 3.1725888324873094E-4 LUDI 0.003912859560067682 LibDock 0.06630710659898477 LigandFit 0.004970389170896785 MCSS 5.287648054145516E-4 MODELER 0.1844331641285956 MesoDyn 0.0011632825719120135 Mesocite 0.003701353637901861 Mesoscale 0.006979695431472081 Modules 0.0 Morphology 0.018612521150592216 ONETEP 0.0010575296108291032 Polymorph 0.0017978003384094754 QMERA 1.0575296108291032E-4 QSAR 0.0011632825719120135 Quantum Mechanics 0.5609137055837563 Reflex 0.05615482233502538 Reflex Plus 8.460236886632825E-4 Semi-empirical 0.008142978003384095 Sorption 0.05710659898477157 Synthia 0.0015862944162436548 TURBOMOLE 6.345177664974619E-4 VAMP 0.001692047377326565 Visualization 0.7711505922165821 X-Cell 0.0012690355329949238 ZDOCK 0.02643824027072758

Year

2022 0.005319148936170213 2023 0.3296038151137197 2024 0.7100146735143067 2025 1.0 2026 0.32079970652971385 2027 0.0

Keywords

target 1.0 potential 0.26319308254590834 docking 0.1932608308076306 analysis 0.17645747905152434 visualization 0.17569976822963096 between 0.14704047067213408 novel 0.09466928151185594 energy 0.08624532002139419 binding 0.062310572294526655 cell 0.06097343555000891 promising 0.05575860224638973 activity 0.04523979318951685 stability 0.03391870208593332 interaction 0.031600998395435904 performance 0.029951863077197362 experimental 0.028926724906400428 synthesized 0.02883758245676591 effective 0.020591905865573187 mechanism 0.01849705829916206 development 0.018229630950258514 including 0.016357639507933678 synthesis 0.011053663754679978 protein 0.010875378855410947 design 7.131395970761277E-4 chemical 0.0
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