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Application

Discovery Studio 0.9371024734982332 Materials Studio 1.0 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.06799468791500664 Amorphous Cell 0.2848605577689243 Blends 0.0025232403718459494 CASTEP 0.38751660026560425 CDOCKER 0.16308100929614874 CHARMm 0.249800796812749 COMPASS 0.3645418326693227 COMPASS III 0.0849933598937583 COSMObase 0.0035856573705179283 COSMOconf 0.004913678618857902 COSMOmic 1.3280212483399734E-4 COSMOperm 0.001195219123505976 COSMOplex 3.9840637450199205E-4 COSMOquick 9.296148738379814E-4 COSMOtherm 0.06600265604249668 Cantera 0.0 Catalyst 0.11115537848605578 Classical Simulations 1.0 Conformers 6.640106241699867E-4 Crystallization 0.07423638778220451 DFTB Plus 0.006108897742363878 DMol3 0.17609561752988048 DPD 0.0031872509960159364 Discover 0.004382470119521913 Forcite 0.5427622841965472 GULP 0.022310756972111555 Kinetix 2.656042496679947E-4 LUDI 0.004382470119521913 LibDock 0.06679946879150066 LigandFit 0.005312084993359893 MCSS 3.9840637450199205E-4 MODELER 0.19057104913678619 MesoDyn 0.0010624169986719787 Mesocite 0.003851261620185923 Mesoscale 0.007171314741035857 Morphology 0.017264276228419653 ONETEP 0.001195219123505976 Polymorph 0.0021248339973439574 QMERA 2.656042496679947E-4 QSAR 0.0010624169986719787 Quantum Mechanics 0.5537848605577689 Reflex 0.05405046480743692 Reflex Plus 5.312084993359894E-4 Semi-empirical 0.00796812749003984 Sorption 0.05604249667994688 Synthia 0.0013280212483399733 TURBOMOLE 5.312084993359894E-4 VAMP 0.0013280212483399733 Visualization 0.7788844621513944 X-Cell 0.0013280212483399733 ZDOCK 0.029349269588313413

Year

2022 0.12512550200803213 2023 0.2679467871485944 2024 0.6829819277108434 2025 1.0 2026 0.5180722891566265 2027 0.0

Keywords

target 1.0 potential 0.2795320241150839 docking 0.2105891482122605 analysis 0.19512923058556678 visualization 0.18796633438787083 between 0.155076702680117 novel 0.09646033546230526 energy 0.0879245508267176 binding 0.06936071151435563 cell 0.06649555303527727 promising 0.06213812451501224 activity 0.04996120097892915 stability 0.03897809347579538 performance 0.03265086850116397 synthesized 0.028472512385841343 experimental 0.028233749179251477 interaction 0.02805467677430908 effective 0.02095147137826061 mechanism 0.02017549095684355 including 0.017907240494239838 development 0.016414970453053186 synthesis 0.009968363875126843 protein 0.008117949024055392 design 0.003163612487315705 chemical 0.0
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