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Application

Discovery Studio 1.0 Materials Studio 0.9796502953989378 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.06814695195801372 Amorphous Cell 0.2729107791683488 Blends 0.0029874848607186113 CASTEP 0.4033104561970125 CDOCKER 0.1754541784416633 CHARMm 0.2602341542188131 COMPASS 0.3702058942268874 COMPASS III 0.07468712151796528 COSMObase 0.0029874848607186113 COSMOconf 0.003471941865159467 COSMOmic 2.4222850222042794E-4 COSMOperm 0.0012111425111021397 COSMOplex 3.2297133629390393E-4 COSMOquick 0.0017763423496164716 COSMOtherm 0.06265643924101735 Cantera 0.0 Catalyst 0.11998385143318531 Classical Simulations 1.0 Conformers 0.0012918853451756157 Crystallization 0.07614049253128785 DFTB Plus 0.005329027048849415 DMol3 0.1855470327008478 DPD 0.002825999192571659 Discover 0.004360113039967703 Forcite 0.5324989907145741 GULP 0.026402906742026645 Kinetix 2.4222850222042794E-4 LUDI 0.00540976988292289 LibDock 0.07153815098909971 LigandFit 0.00783205490512717 MCSS 0.0012111425111021397 MODELER 0.1912797739200646 MesoDyn 0.0012918853451756157 Mesocite 0.004198627371820751 Mesoscale 0.007509083568833266 Modules 0.0 Morphology 0.017440452159870813 ONETEP 0.0013726281792490916 Polymorph 0.0018570851836899474 QMERA 1.6148566814695197E-4 QSAR 0.0012111425111021397 Quantum Mechanics 0.5765038352846185 Reflex 0.05643924101735971 Reflex Plus 8.074283407347598E-4 Semi-empirical 0.0072668550666128385 Sorption 0.055066612838110617 Synthia 0.0013726281792490916 TURBOMOLE 4.8445700444085587E-4 VAMP 0.0016148566814695195 Visualization 0.8720226079935406 X-Cell 0.0012111425111021397 ZDOCK 0.03068227694792087

Year

2020 0.06339324857518633 2021 0.1333625602805787 2022 0.21113546690048224 2023 0.4908373520385796 2024 0.8408592722490136 2025 1.0 2026 0.3727312582200789 2027 0.0

Keywords

target 1.0 potential 0.261329408543264 docking 0.21522453450164294 visualization 0.2111514238773275 analysis 0.17846385542168675 between 0.15248493975903615 novel 0.10008214676889375 energy 0.08190717415115005 binding 0.06972207009857612 cell 0.05794769989047097 activity 0.05284775465498357 promising 0.046652519167579405 interaction 0.0390539430449069 stability 0.02806681270536692 synthesized 0.027450711938663747 experimental 0.026697699890470973 protein 0.019646768893756845 mechanism 0.018517250821467688 effective 0.016497809419496166 performance 0.016018619934282583 development 0.015950164293537787 synthesis 0.012219331872946331 including 0.0075985761226725086 design 7.187842278203724E-4 chemical 0.0
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