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Application

Discovery Studio 1.0 Materials Studio 0.9593126254871855 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.06698097870264998 Amorphous Cell 0.2771094131035604 Blends 0.0025199154609006668 CASTEP 0.4030238985530808 CDOCKER 0.1788327101284344 CHARMm 0.2638595350349537 COMPASS 0.36473744106649325 COMPASS III 0.07641033978214924 COSMObase 0.0030889286294911397 COSMOconf 0.0034953666070557635 COSMOmic 2.4386278653877418E-4 COSMOperm 0.0013818891237197203 COSMOplex 3.251503820516989E-4 COSMOquick 0.0013818891237197203 COSMOtherm 0.06291659892700374 Cantera 8.128759551292472E-5 Catalyst 0.1278653877418306 Classical Simulations 1.0 Conformers 0.0010567387416680215 Crystallization 0.07437814989432613 DFTB Plus 0.00585270687693058 DMol3 0.18314095269061942 DPD 0.0030889286294911397 Discover 0.003901804584620387 Forcite 0.5304015607218339 GULP 0.025930742968622987 Kinetix 2.4386278653877418E-4 LUDI 0.0057714192814176555 LibDock 0.0729962607706064 LigandFit 0.007478458787189075 MCSS 0.0013006015282067955 MODELER 0.19013168590473095 MesoDyn 0.0016257519102584946 Mesocite 0.003983092180133312 Mesoscale 0.007641033978214924 Modules 0.0 Morphology 0.017232970248740043 ONETEP 9.754511461550967E-4 Polymorph 0.0018696146967972687 QMERA 2.4386278653877418E-4 QSAR 0.0011380263371809462 Quantum Mechanics 0.5743781498943261 Reflex 0.05486912697122419 Reflex Plus 7.315883596163225E-4 Semi-empirical 0.007803609169240774 Sorption 0.054056251016094944 Synthia 0.001463176719232645 TURBOMOLE 5.690131685904731E-4 VAMP 0.0015444643147455698 Visualization 0.8881482685742156 X-Cell 0.0011380263371809462 ZDOCK 0.030238985530807998

Year

2020 0.0 2021 0.12486874343717186 2022 0.29270213510675536 2023 0.37941897094854743 2024 0.9407595379768988 2025 1.0 2026 0.3725936296814841 2027 6.125306265313265E-4

Keywords

target 1.0 potential 0.267510027769207 docking 0.2212965819877267 visualization 0.21461140251637012 analysis 0.18169974973430697 between 0.1496108882717954 novel 0.10144331310638006 energy 0.08022215365627892 binding 0.07178854263087524 cell 0.057938222085090335 activity 0.05334430388426069 promising 0.04641914361136824 interaction 0.03843121121738832 synthesized 0.029209091844081044 stability 0.02759779217662587 experimental 0.02677500085707429 protein 0.020981178648565257 effective 0.017004353937399293 mechanism 0.016764373135863417 development 0.01635297747608763 performance 0.01635297747608763 synthesis 0.01302752922623333 including 0.00953066611813912 chemical 0.001234186979327368 design 0.0
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