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Application

Discovery Studio 1.0 Materials Studio 0.969778174780408 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.06634835372525615 Amorphous Cell 0.2764348950562021 Blends 0.002387347060578932 CASTEP 0.3836665671938725 CDOCKER 0.1707947876255844 CHARMm 0.2644981597533075 COMPASS 0.35810205908683973 COMPASS III 0.08286083756092709 COSMObase 0.0035810205908683975 COSMOconf 0.0041778573560131305 COSMOmic 9.947279419078882E-5 COSMOperm 0.0012931463244802547 COSMOplex 1.9894558838157763E-4 COSMOquick 0.0013926191186710434 COSMOtherm 0.0622699691634338 Cantera 0.0 Catalyst 0.12692728538744652 Classical Simulations 1.0 Conformers 6.963095593355217E-4 Crystallization 0.07351039490699293 DFTB Plus 0.005669949268874963 DMol3 0.17238635233263702 DPD 0.0026857654431512983 Discover 0.003282602208296031 Forcite 0.5295931562717596 GULP 0.02347557942902616 Kinetix 1.9894558838157763E-4 LUDI 0.004277330150203919 LibDock 0.07221724858251269 LigandFit 0.0055704764746841735 MCSS 5.96836765144733E-4 MODELER 0.18889883616830797 MesoDyn 0.001094200736098677 Mesocite 0.0036804933850591863 Mesoscale 0.006664677210782851 Modules 0.0 Morphology 0.017805630160151197 ONETEP 9.947279419078882E-4 Polymorph 0.0018899830896249876 QMERA 9.947279419078882E-5 QSAR 0.001094200736098677 Quantum Mechanics 0.5450114393713319 Reflex 0.05321794489207202 Reflex Plus 8.952551477170994E-4 Semi-empirical 0.00755993235849995 Sorption 0.05550581915846016 Synthia 0.0013926191186710434 TURBOMOLE 4.973639709539441E-4 VAMP 0.001591564707052621 Visualization 0.8537749925395405 X-Cell 0.0012931463244802547 ZDOCK 0.030040783845618223

Year

2021 0.0 2022 0.11338665729102575 2023 0.366089478772963 2024 0.6421728047815769 2025 1.0 2026 0.37452755559462075 2027 8.789663355893469E-4

Keywords

target 1.0 potential 0.28408698653779774 docking 0.22881429064549533 visualization 0.21224542630307214 analysis 0.193562305833621 between 0.15295995857783914 novel 0.10441836382464618 energy 0.08444080082844321 binding 0.07598377632033138 cell 0.06286675871591302 promising 0.058810838798757335 activity 0.05673973075595443 interaction 0.03710735243355195 stability 0.03663272350707628 synthesized 0.03236106316879531 experimental 0.028218847083189506 performance 0.02644977562996203 protein 0.023990334829133587 development 0.021876078702105627 effective 0.020840524680704176 mechanism 0.02015015533310321 including 0.017690714532274766 synthesis 0.015058681394546082 design 0.003408698653779772 chemical 0.0
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