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Application

Discovery Studio 1.0 Materials Studio 0.979994769874477 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.06639077221097121 Amorphous Cell 0.2785946993043938 Blends 0.0025534912388835078 CASTEP 0.39904904464207097 CDOCKER 0.17266883860174342 CHARMm 0.26010390067799594 COMPASS 0.36479704147221975 COMPASS III 0.07871797129523642 COSMObase 0.0032579026151272343 COSMOconf 0.003786211147310029 COSMOmic 8.805142203046579E-5 COSMOperm 0.001320771330456987 COSMOplex 2.641542660913974E-4 COSMOquick 0.001320771330456987 COSMOtherm 0.06295676675178304 Cantera 8.805142203046579E-5 Catalyst 0.12582548208153563 Classical Simulations 1.0 Conformers 7.924627982741922E-4 Crystallization 0.07475565730386546 DFTB Plus 0.0059874966980716735 DMol3 0.1806815180065158 DPD 0.002905696927005371 Discover 0.0038742625693404947 Forcite 0.5318305890640134 GULP 0.02535880954477415 Kinetix 2.641542660913974E-4 LUDI 0.004754776789645153 LibDock 0.07184996037686009 LigandFit 0.006163599542132606 MCSS 7.924627982741922E-4 MODELER 0.19010302016377564 MesoDyn 0.0014088227524874527 Mesocite 0.004050365413401426 Mesoscale 0.007396319450559127 Modules 0.0 Morphology 0.017962490094215022 ONETEP 9.685656423351237E-4 Polymorph 0.0019371312846702474 QMERA 1.7610284406093158E-4 QSAR 0.001232719908426521 Quantum Mechanics 0.5685480320507176 Reflex 0.05441577881482786 Reflex Plus 7.924627982741922E-4 Semi-empirical 0.008012679404772387 Sorption 0.05467993308091926 Synthia 0.0015849255965483843 TURBOMOLE 6.163599542132605E-4 VAMP 0.00167297701857885 Visualization 0.8668662498899358 X-Cell 0.001232719908426521 ZDOCK 0.029585277802236506

Year

2021 0.08860426353188876 2022 0.1881744012632687 2023 0.37169927186595314 2024 0.8240196508465655 2025 1.0 2026 0.37292744977629616 2027 0.0

Keywords

target 1.0 potential 0.2718786464410735 docking 0.22057439680807017 visualization 0.2099597244702074 analysis 0.18447698272292695 between 0.14999811796589754 novel 0.10019949561486054 energy 0.08156735800052697 binding 0.0703127940678285 cell 0.05871946399668762 activity 0.0526216735047239 promising 0.049798622351037 interaction 0.03669966499792976 stability 0.029736138818835398 synthesized 0.02966085745473708 experimental 0.026574321526706066 protein 0.020024842850152446 performance 0.019535513983513383 development 0.016938306922121428 effective 0.01663718146572816 mechanism 0.016411337373433206 synthesis 0.011932096209583317 including 0.010802875748108556 chemical 6.022509127865397E-4 design 0.0
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