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Application

Discovery Studio 1.0 Materials Studio 0.9570658452060069 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.056385542168674696 Amorphous Cell 0.2744578313253012 Blends 0.002650602409638554 CASTEP 0.31951807228915663 CDOCKER 0.17686746987951807 CHARMm 0.2766265060240964 COMPASS 0.33397590361445784 COMPASS III 0.10771084337349397 COSMObase 0.004819277108433735 COSMOconf 0.005301204819277108 COSMOmic 0.0 COSMOperm 4.8192771084337347E-4 COSMOplex 2.4096385542168674E-4 COSMOquick 4.8192771084337347E-4 COSMOtherm 0.06409638554216868 Catalyst 0.08457831325301204 Classical Simulations 1.0 Conformers 4.8192771084337347E-4 Crystallization 0.07228915662650602 DFTB Plus 0.004337349397590362 DMol3 0.14337349397590363 DPD 0.0024096385542168677 Discover 0.0033734939759036144 Forcite 0.5187951807228915 GULP 0.017108433734939758 Kinetix 2.4096385542168674E-4 LUDI 0.0036144578313253013 LibDock 0.07325301204819278 LigandFit 0.004096385542168675 MODELER 0.25783132530120484 MesoDyn 0.0 Mesocite 0.0033734939759036144 Mesoscale 0.005542168674698795 Modules 0.0 Morphology 0.016144578313253014 ONETEP 9.638554216867469E-4 Polymorph 0.002650602409638554 QMERA 2.4096385542168674E-4 QSAR 0.0 Quantum Mechanics 0.4556626506024096 Reflex 0.052048192771084335 Reflex Plus 9.638554216867469E-4 Semi-empirical 0.005783132530120482 Sorption 0.05927710843373494 Synthia 0.0012048192771084338 TURBOMOLE 2.4096385542168674E-4 VAMP 7.228915662650603E-4 Visualization 0.7163855421686747 X-Cell 0.0012048192771084338 ZDOCK 0.028674698795180722

Year

2023 0.0 2024 0.37565016374494314 2025 1.0 2026 0.7351184742824118 2027 1.9264110961279138E-4

Keywords

target 1.0 potential 0.3129976580796253 docking 0.231615925058548 analysis 0.2243559718969555 visualization 0.17201405152224825 between 0.14285714285714285 novel 0.09660421545667447 promising 0.09004683840749414 binding 0.07611241217798595 energy 0.07189695550351288 cell 0.061826697892271666 activity 0.0563231850117096 stability 0.042388758782201406 performance 0.037822014051522246 including 0.024824355971896955 effective 0.019320843091334895 synthesized 0.019320843091334895 development 0.01826697892271663 mechanism 0.01557377049180328 enhanced 0.013817330210772834 strong 0.013348946135831381 experimental 0.012177985948477752 interaction 0.011007025761124122 protein 0.005971896955503513 design 0.0
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