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Application

Discovery Studio 0.8986388647552852 Materials Studio 1.0 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.06660287081339714 Amorphous Cell 0.2801913875598086 Blends 0.002488038277511962 CASTEP 0.38181818181818183 CDOCKER 0.15444976076555023 CHARMm 0.2463157894736842 COMPASS 0.3720574162679426 COMPASS III 0.08287081339712919 COSMObase 0.003827751196172249 COSMOconf 0.0028708133971291866 COSMOmic 0.0 COSMOperm 0.001339712918660287 COSMOplex 0.0 COSMOquick 0.001722488038277512 COSMOtherm 0.05875598086124402 Catalyst 0.10583732057416267 Classical Simulations 1.0 Conformers 9.569377990430622E-4 Crystallization 0.07712918660287081 DFTB Plus 0.004784688995215311 DMol3 0.17952153110047847 DPD 0.002488038277511962 Discover 0.003444976076555024 Forcite 0.5399043062200957 GULP 0.027942583732057415 Kinetix 1.9138755980861245E-4 LUDI 0.003444976076555024 LibDock 0.0677511961722488 LigandFit 0.004593301435406699 MCSS 3.827751196172249E-4 MODELER 0.18105263157894738 MesoDyn 0.001722488038277512 Mesocite 0.0040191387559808615 Mesoscale 0.007272727272727273 Modules 0.0 Morphology 0.017607655502392343 ONETEP 3.827751196172249E-4 Polymorph 0.0022966507177033493 QMERA 0.0 QSAR 7.655502392344498E-4 Quantum Mechanics 0.5479425837320574 Reflex 0.056842105263157895 Reflex Plus 0.0011483253588516747 Semi-empirical 0.00631578947368421 Sorption 0.05875598086124402 Synthia 0.0011483253588516747 TURBOMOLE 1.9138755980861245E-4 VAMP 0.0011483253588516747 Visualization 0.7596172248803827 X-Cell 0.001339712918660287 ZDOCK 0.025645933014354066

Year

2022 0.03252885624344176 2023 0.34767401189227004 2024 0.7012941587967821 2025 1.0 2026 0.372507869884575 2027 0.0

Keywords

target 1.0 potential 0.2806238020561073 docking 0.20491374803972817 analysis 0.19332636347795784 visualization 0.19001568217459489 between 0.15778010106290294 novel 0.10611604809200209 energy 0.09705523610385085 binding 0.06664924202822792 cell 0.06664924202822792 promising 0.0614218504966022 activity 0.0458267990939188 stability 0.03998954521693675 interaction 0.03981529883254922 performance 0.03746297264331765 experimental 0.03423941453214846 synthesized 0.02988325492246036 effective 0.02465586339083464 development 0.022390660393796828 including 0.021432305279665446 mechanism 0.021258058895277925 protein 0.01629203694023349 synthesis 0.01141313817738282 design 0.0027008189580066213 chemical 0.0
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