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Molecular structure

The minimal-ABC trees with B1-branches

Darko Dimitrov, Zhibin Du, Carlos M. da Fonseca

Efficient minimization of multipole electrostatic potentials in torsion space

Nicholas K. Bodmer, James J. Havranek

RNA secondary structure prediction with pseudoknots: Contribution of algorithm versus energy model

Hosna Jabbari, Ian Wark, Carlo Montemagno

Identification of aaNAT5b as a spermine N-acetyltransferase in the mosquito, Aedes aegypti

Huai Guan, Maoying Wang, [ ... ], Qian Han

A single β-octyl glucoside molecule induces HIV-1 Nef dimer formation in the absence of partner protein binding

Mousheng Wu, John J. Alvarado, [ ... ], Thomas E. Smithgall

Ensemble learning method for the prediction of new bioactive molecules

Lateefat Temitope Afolabi, Faisal Saeed, Haslinda Hashim, Olutomilayo Olayemi Petinrin

Exploring the binding sites and binding mechanism for hydrotrope encapsulated griseofulvin drug on γ-tubulin protein

Shubhadip Das, Sandip Paul

Use of thermal analysis coupled with differential scanning calorimetry, quadrupole mass spectrometry and infrared spectroscopy (TG-DSC-QMS-FTIR) to monitor chemical properties and thermal stability of fulvic and humic acids

Patrycja Boguta, Zofia Sokołowska, Kamil Skic

Compatible topologies and parameters for NMR structure determination of carbohydrates by simulated annealing

Yingang Feng

Docking and quantitative structure–activity relationship of bi-cyclic heteroaromatic pyridazinone and pyrazolone derivatives as phosphodiesterase 3A (PDE3A) inhibitors

Camila Muñoz-Gutiérrez, Daniela Cáceres-Rojas, [ ... ], Julio Caballero

Proposal for a common nomenclature for fragment ions in mass spectra of lipids

Josch K. Pauling, Martin Hermansson, [ ... ], Christer S. Ejsing

Mitochondrial DNA sequence context in the penetrance of mitochondrial t-RNA mutations: A study across multiple lineages with diagnostic implications

Rachel A. Queen, Jannetta S. Steyn, Phillip Lord, Joanna L. Elson

Structure and function of a CE4 deacetylase isolated from a marine environment

Tina Rise Tuveng, Ulli Rothweiler, [ ... ], Vincent G. H. Eijsink

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