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Application

Discovery Studio 1.0 Materials Studio 0.9824855870977158 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.06731981763507615 Amorphous Cell 0.27636046173246676 Blends 0.0025220680958385876 CASTEP 0.3901445339024154 CDOCKER 0.17227665146958968 CHARMm 0.26278009506256667 COMPASS 0.35949170627606947 COMPASS III 0.08216121835289553 COSMObase 0.0034920942865457366 COSMOconf 0.004074110000970026 COSMOmic 2.910078572121447E-4 COSMOperm 0.0014550392860607237 COSMOplex 2.910078572121447E-4 COSMOquick 0.0015520419051314386 COSMOtherm 0.06266369191968184 Cantera 0.0 Catalyst 0.12348433407702009 Classical Simulations 1.0 Conformers 0.001067028809777864 Crystallization 0.07391599573188476 DFTB Plus 0.00533514404888932 DMol3 0.17460471432728683 DPD 0.0027160733339800175 Discover 0.0033950916674750217 Forcite 0.5338054127461441 GULP 0.024153652148608012 Kinetix 2.910078572121447E-4 LUDI 0.004850130953535745 LibDock 0.0714909302551169 LigandFit 0.006208167620525755 MCSS 7.760209525657193E-4 MODELER 0.19080415171209622 MesoDyn 0.0012610340479192938 Mesocite 0.0032980890484043067 Mesoscale 0.006693180715879329 Modules 0.0 Morphology 0.01697545833737511 ONETEP 0.001067028809777864 Polymorph 0.0018430497623435833 QMERA 1.9400523814142983E-4 QSAR 8.730235716364342E-4 Quantum Mechanics 0.5534969444174993 Reflex 0.054418469298671064 Reflex Plus 8.730235716364342E-4 Semi-empirical 0.006887185954020759 Sorption 0.05616451644194393 Synthia 0.0013580366669900088 TURBOMOLE 5.820157144242894E-4 VAMP 0.0011640314288485789 Visualization 0.8483849063924725 X-Cell 0.0012610340479192938 ZDOCK 0.028906780483073043

Year

2021 0.013644015238770266 2022 0.14317356250553734 2023 0.3501373261274032 2024 0.6952245946664304 2025 1.0 2026 0.3766279790909896 2027 0.0

Keywords

target 1.0 potential 0.27998151105134883 docking 0.22380031935456762 visualization 0.20921926212286746 analysis 0.1922010252962434 between 0.153752416169426 novel 0.1041263971762333 energy 0.0852592654844945 binding 0.07588873014539037 cell 0.062022018657030005 promising 0.05794604588620893 activity 0.05542482561559795 interaction 0.03777628372132112 stability 0.035339104126397174 synthesized 0.029918480544583577 experimental 0.02785948399025128 performance 0.026388772165728214 effective 0.021934616354315487 mechanism 0.02054794520547945 protein 0.020211782502731323 development 0.01924531473233045 including 0.016345911421127825 synthesis 0.013656609799142785 design 0.002353138919236911 chemical 0.0
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