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Application

Discovery Studio 1.0 Materials Studio 0.6813081115742226 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.046251217137293084 Amorphous Cell 0.2517039922103213 Blends 9.737098344693282E-4 CASTEP 0.247809152872444 CDOCKER 0.21567672833495619 CHARMm 0.3412852969814995 COMPASS 0.30136319376825704 COMPASS III 0.10954235637779941 COSMObase 0.0038948393378773127 COSMOconf 0.007302823758519961 COSMOmic 0.0 COSMOperm 4.868549172346641E-4 COSMOplex 4.868549172346641E-4 COSMOtherm 0.05842259006815969 Catalyst 0.09006815968841285 Classical Simulations 1.0 Conformers 4.868549172346641E-4 Crystallization 0.06767283349561831 DFTB Plus 0.0034079844206426485 DMol3 0.1124634858812074 DPD 0.0014605647517039922 Discover 0.0034079844206426485 Forcite 0.47030185004868547 GULP 0.010710808179162609 Kinetix 0.0 LUDI 0.0034079844206426485 LibDock 0.0866601752677702 LigandFit 0.004381694255111977 MODELER 0.317429406037001 Mesocite 0.0038948393378773127 Mesoscale 0.004868549172346641 Morphology 0.01557935735150925 ONETEP 9.737098344693282E-4 Polymorph 0.0019474196689386564 Quantum Mechanics 0.3563777994157741 Reflex 0.04868549172346641 Reflex Plus 0.0 Semi-empirical 0.0038948393378773127 Sorption 0.056962025316455694 Synthia 9.737098344693282E-4 TURBOMOLE 0.0 VAMP 0.0 Visualization 0.8281402142161636 X-Cell 4.868549172346641E-4 ZDOCK 0.0365141187925998

Year

2024 0.056758530183727035 2025 1.0 2026 0.7765748031496063 2027 0.0

Keywords

target 1.0 potential 0.3565783356578336 docking 0.2912598791259879 analysis 0.24105067410506742 visualization 0.20711297071129708 between 0.11808461180846118 binding 0.1099488609948861 novel 0.09879125987912599 promising 0.09646675964667596 activity 0.07182705718270571 cell 0.044397954439795446 energy 0.038354253835425386 stability 0.03602975360297536 including 0.03486750348675035 strong 0.030218503021850304 therapeutic 0.02882380288238029 protein 0.020455602045560205 development 0.01813110181311018 effective 0.015574151557415155 synthesized 0.010692701069270108 mechanism 0.00906555090655509 interaction 0.006741050674105067 performance 0.0048814504881450485 inhibition 0.0020920502092050207 silico 0.0
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