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Application

Discovery Studio 1.0 Materials Studio 0.9253626373626374 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.06467123452338021 Amorphous Cell 0.27310974876788074 Blends 0.0024041351123933164 CASTEP 0.37516528428897705 CDOCKER 0.17634331049404978 CHARMm 0.27875946628200504 COMPASS 0.3464358696958769 COMPASS III 0.08594783026806106 COSMObase 0.0037264094242096405 COSMOconf 0.0046880634691669676 COSMOmic 1.2020675561966583E-4 COSMOperm 0.00144248106743599 COSMOplex 2.4041351123933166E-4 COSMOquick 0.0015626878230556556 COSMOtherm 0.06334896021156389 Cantera 0.0 Catalyst 0.12681812717874744 Classical Simulations 1.0 Conformers 7.21240533717995E-4 Crystallization 0.0706815723043635 DFTB Plus 0.005890131025363625 DMol3 0.16516408222142084 DPD 0.002644548623632648 Discover 0.0031253756461113113 Forcite 0.5216973193893497 GULP 0.022358456545257845 Kinetix 2.4041351123933166E-4 LUDI 0.00432744320230797 LibDock 0.07500901550667148 LigandFit 0.005289097247265296 MCSS 6.010337780983291E-4 MODELER 0.2092799615338382 MesoDyn 9.616540449573266E-4 Mesocite 0.00288496213487198 Mesoscale 0.006010337780983291 Modules 0.0 Morphology 0.01730977280923188 ONETEP 0.0012020675561966582 Polymorph 0.0019233080899146533 QMERA 0.0 QSAR 9.616540449573266E-4 Quantum Mechanics 0.5298713787714869 Reflex 0.05060704411587931 Reflex Plus 9.616540449573266E-4 Semi-empirical 0.007452818848419281 Sorption 0.05637696838562327 Synthia 0.001322274311816324 TURBOMOLE 6.010337780983291E-4 VAMP 0.001322274311816324 Visualization 0.853588171655247 X-Cell 0.00144248106743599 ZDOCK 0.02969106863805746

Year

2022 0.0034550378186572043 2023 0.32738817816789617 2024 0.5361845176953964 2025 1.0 2026 0.32664114296386215 2027 0.0

Keywords

target 1.0 potential 0.2777560403012814 docking 0.22322214614105448 visualization 0.19852293847207278 analysis 0.18688251980827544 between 0.14369558837914506 novel 0.10305194170008804 binding 0.0775701848772376 energy 0.07624963318008413 promising 0.0635821187518341 cell 0.05864227721803776 activity 0.05795754670840262 stability 0.03492125599139196 interaction 0.034432162770224005 synthesized 0.03223124327496821 protein 0.024797026313215297 experimental 0.024405751736280935 performance 0.023623202582412208 development 0.022449378851609116 effective 0.02176464834197398 including 0.020199550034236527 mechanism 0.01907463562555023 synthesis 0.017656265284163163 design 0.003814927125110046 compound 0.0
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