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Application

Discovery Studio 1.0 Materials Studio 0.9553078137332282 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.06712611991729842 Amorphous Cell 0.27312198483804273 Antibody 1.3783597518952445E-4 Blends 0.0031013094417643005 CASTEP 0.41467953135768437 CDOCKER 0.1839421088904204 CHARMm 0.26361130254996556 COMPASS 0.3738800827015851 COMPASS III 0.06967608545830462 COSMObase 0.0026878015161957273 COSMOconf 0.0031013094417643005 COSMOmic 2.067539627842867E-4 COSMOperm 0.001171605789110958 COSMOplex 3.4458993797381116E-4 COSMOquick 0.0016540317022742937 COSMOtherm 0.0636802205375603 Cantera 6.891798759476223E-5 Catalyst 0.12019297036526533 Classical Simulations 1.0 Conformers 0.001516195727084769 Crystallization 0.07587870434183322 DFTB Plus 0.005926946933149552 DMol3 0.19228118538938663 DPD 0.0031013094417643005 Discover 0.00523776705720193 Forcite 0.528394210889042 GULP 0.027567195037904894 Kinetix 2.067539627842867E-4 LUDI 0.006271536871123363 LibDock 0.07250172294968987 LigandFit 0.009372846312887664 MCSS 0.001791867677463818 MODELER 0.20158511371467952 MesoDyn 0.0017229496898690559 Mesocite 0.0044107512060647825 Mesoscale 0.00806340454858718 Modules 0.0 Morphology 0.017780840799448656 ONETEP 0.0012405237767057202 Polymorph 0.0018607856650585803 QMERA 2.067539627842867E-4 QSAR 0.001516195727084769 Quantum Mechanics 0.5942798070296348 Reflex 0.05603032391454169 Reflex Plus 6.891798759476223E-4 Semi-empirical 0.00806340454858718 Sorption 0.05368711233631978 Synthia 0.0013783597518952446 TURBOMOLE 5.513439007580978E-4 VAMP 0.001791867677463818 Visualization 0.9021364576154376 X-Cell 0.0011026878015161956 ZDOCK 0.031426602343211575

Year

2019 0.0027895181741335586 2020 0.1397295012679628 2021 0.25967878275570583 2022 0.294167371090448 2023 0.5613693998309383 2024 1.0 2025 0.9667793744716822 2026 0.35934065934065934 2027 0.0

Keywords

target 1.0 potential 0.25058568081823895 visualization 0.21407348151534197 docking 0.21275927089880578 analysis 0.1697617279012628 between 0.14919147477287012 novel 0.0987943546083081 energy 0.07770984515170562 binding 0.06785326552768413 cell 0.054282612422147304 activity 0.05245414547740129 interaction 0.03931203931203931 promising 0.03765499114336324 synthesized 0.02588423518656077 experimental 0.02511285069424604 protein 0.019656019656019656 stability 0.019256042511856464 mechanism 0.016599051482772412 development 0.012970687389292041 effective 0.012142163304954002 synthesis 0.010970801668476087 performance 0.007513856351065653 including 0.002399862864979144 chemical 0.001971315924804297 design 0.0
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