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Molecular structure

MESSAR: Automated recommendation of metabolite substructures from tandem mass spectra

Youzhong Liu, Aida Mrzic, [ ... ], Kris Laukens

Improving graphs of cycles approach to structural similarity of molecules

Stefi Nouleho Ilemo, Dominique Barth, [ ... ], Dimitri Watel

Highly accurate prediction of flammability limits of chemical compounds using novel integrated hybrid models

Mohanad El-Harbawi, Brahim Belhaouari Samir, Lahssen El blidi, Ouahid Ben Ghanem

Regression adjusted colocalisation colour mapping (RACC): A novel biological visual analysis method for qualitative colocalisation analysis of 3D fluorescence micrographs

Rensu P. Theart, Ben Loos, Thomas R. Niesler

Conformation and mechanical property of rpoS mRNA inhibitory stem studied by optical tweezers and X-ray scattering

Xinyao Hu, Xuanling Li, [ ... ], Qingguo Gong

Nitrate transformation and immobilization in particulate organic matter incubations: Influence of redox, iron and (a)biotic conditions

Fiona R. Kizewski, Jason P. Kaye, Carmen Enid Martínez

Molecular dynamics simulation of aluminium binding to amyloid-β and its effect on peptide structure

Matthew Turner, Shaun T. Mutter, Oliver D. Kennedy-Britten, James A. Platts

Computational, crystallographic studies, cytotoxicity and anti-tubercular activity of substituted 7-methoxy-indolizine analogues

Katharigatta Narayanaswamy Venugopala, Sandeep Chandrashekharappa, [ ... ], Koleka Mlisana

Structural analysis of Cytochrome P450 BM3 mutant M11 in complex with dithiothreitol

Karla Frydenvang, Marlies C. A. Verkade-Vreeker, [ ... ], Daan P. Geerke

jViz.RNA 4.0—Visualizing pseudoknots and RNA editing employing compressed tree graphs

Boris Shabash, Kay C. Wiese

Structural dynamics of tight junctions modulate the properties of the epithelial barrier

Aapo Tervonen, Teemu O. Ihalainen, Soile Nymark, Jari Hyttinen

Implicit solvent systematic coarse-graining of dioleoylphosphatidylethanolamine lipids: From the inverted hexagonal to the bilayer structure

Saeed Mortezazadeh, Yousef Jamali, Hossein Naderi-Manesh, Alexander P. Lyubartsev

The mechanism behind lack-of-effect of lanthanum on seed germination of switchgrass

He Xueqing

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