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Application

Discovery Studio 1.0 Materials Studio 0.9493727598566308 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.06752293577981651 Amorphous Cell 0.27217125382262997 Blends 0.0023241590214067276 CASTEP 0.3870336391437309 CDOCKER 0.18030581039755353 CHARMm 0.27388379204892965 COMPASS 0.35804281345565747 COMPASS III 0.07730886850152906 COSMObase 0.0033027522935779817 COSMOconf 0.0037920489296636084 COSMOmic 2.4464831804281347E-4 COSMOperm 9.785932721712539E-4 COSMOplex 2.4464831804281347E-4 COSMOquick 0.0017125382262996943 COSMOtherm 0.060061162079510705 Cantera 0.0 Catalyst 0.11694189602446484 Classical Simulations 1.0 Conformers 0.0011009174311926607 Crystallization 0.07486238532110091 DFTB Plus 0.004159021406727829 DMol3 0.178348623853211 DPD 0.002568807339449541 Discover 0.0047706422018348625 Forcite 0.5246483180428134 GULP 0.023241590214067277 Kinetix 1.2232415902140674E-4 LUDI 0.0061162079510703364 LibDock 0.07192660550458715 LigandFit 0.007339449541284404 MCSS 0.001345565749235474 MODELER 0.20954128440366973 MesoDyn 0.0012232415902140672 Mesocite 0.004159021406727829 Mesoscale 0.0070948012232415906 Morphology 0.016636085626911316 ONETEP 0.001345565749235474 Polymorph 0.0017125382262996943 QMERA 2.4464831804281347E-4 QSAR 0.0011009174311926607 Quantum Mechanics 0.5544954128440367 Reflex 0.055902140672782874 Reflex Plus 4.892966360856269E-4 Semi-empirical 0.0061162079510703364 Sorption 0.053944954128440366 Synthia 6.116207951070336E-4 TURBOMOLE 4.892966360856269E-4 VAMP 0.0014678899082568807 Visualization 0.8521100917431192 X-Cell 0.001345565749235474 ZDOCK 0.030458715596330274

Year

2021 0.1458253174297807 2022 0.21957163011414646 2023 0.2784404258047967 2024 0.8156983455175068 2025 1.0 2026 0.5184045145568809 2027 0.0

Keywords

target 1.0 potential 0.27800785812891576 docking 0.22501858341297654 visualization 0.2078156525432728 analysis 0.19321439949028352 between 0.15026016778167145 novel 0.09987257088244664 energy 0.07895295741743655 binding 0.0763512796007221 cell 0.057608580227248594 promising 0.0543166613571201 activity 0.053467133906764365 interaction 0.035573961983646596 stability 0.03153870659445683 synthesized 0.02506105978549432 experimental 0.022406286503132634 protein 0.019326749495593078 effective 0.019167463098651374 mechanism 0.01821174471700117 performance 0.017840076457470534 development 0.013804821068280768 including 0.013486248274397367 synthesis 0.01253052989274716 design 0.0018052458320059466 chemical 0.0
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