Molecular dynamics investigation of halogenated amyloidogenic peptides

Alfonso Gautieri, Alberto Milani, Andrea Pizzi, Federica Rigoldi, Alberto Redaelli and Pierangelo Metrangolo

J Mol Model, 2019, 25
DOI: 10.1007/s00894-019-4012-9

Gut Metabolism of Sugars: Formation of Glycotoxins and Their Intestinal Absorption

Tamaeh Monteiro-Alfredo and Paulo Matafome

Diabetology, 2022, 3, 596
DOI: 10.3390/diabetology3040045

Characterization of feruloyl esterases from Pecoramyces sp. F1 and the synergistic effect in biomass degradation

Jing Ma, Yuping Ma, Yuqi Li, Zhanying Sun, Xiaoni Sun, Varijakshapanicker Padmakumar, Yanfen Cheng and Weiyun Zhu

World J Microbiol Biotechnol, 2023, 39
DOI: 10.1007/s11274-022-03466-3

Thermal stabilization of the deglycating enzyme Amadoriase I by rational design

Federica Rigoldi, Stefano Donini, Francesca Giacomina, Federico Sorana, Alberto Redaelli, Tiziano Bandiera, Emilio Parisini and Alfonso Gautieri

Sci Rep, 2018, 8
DOI: 10.1038/s41598-018-19991-x

Molecular dynamics simulation as a promising approach for computational study of liquid crystal-based aptasensors

Hamed Zahraee, Seyed Shahriar Arab, Zahra Khoshbin, Seyed Mohammad Taghdisi and Khalil Abnous

Journal of Biomolecular Structure and Dynamics, 2025, 43, 6803
DOI: 10.1080/07391102.2024.2315326

Recent advances in computational methods for biosensor design

Zahra Khoshbin, Mohammad R. Housaindokht, Mohammad Izadyar, Mohammad R. Bozorgmehr and Asma Verdian

Biotech & Bioengineering, 2021, 118, 555
DOI: 10.1002/bit.27618

Molecular modeling, docking and simulation dynamics of β-glucosidase reveals high-efficiency, thermo-stable, glucose tolerant enzyme in Paenibacillus lautus BHU3 strain

Suman Yadav, Anand Kumar Pandey and Suresh Kumar Dubey

International Journal of Biological Macromolecules, 2021, 168, 371
DOI: 10.1016/j.ijbiomac.2020.12.059

Dasatinib–SIK2 Binding Elucidated by Homology Modeling, Molecular Docking, and Dynamics Simulations

Mingsong Shi, Lun Wang, Penghui Li, Jiang Liu, Lijuan Chen and Dingguo Xu

ACS Omega, 2021, 6, 11025
DOI: 10.1021/acsomega.1c00947

Tailoring FPOX enzymes for enhanced stability and expanded substrate recognition

Hajar Estiri, Shapla Bhattacharya, Jhon Alexander Rodriguez Buitrago, Rossella Castagna, Linda Legzdiņa, Giorgia Casucci, Andrea Ricci, Emilio Parisini and Alfonso Gautieri

Sci Rep, 2023, 13
DOI: 10.1038/s41598-023-45428-1

Machine learning for enzyme catalytic activity: current progress and future horizons

Sizhe Qiu, Haris Saeed, Will Leonard, Feiran Li and Aidong Yang

Briefings in Bioinformatics, 2026, 27
DOI: 10.1093/bib/bbag002

Rational backbone redesign of a fructosyl peptide oxidase to widen its active site access tunnel

Federica Rigoldi, Stefano Donini, Archimede Torretta, Anna Carbone, Alberto Redaelli, Tiziano Bandiera, Emilio Parisini and Alfonso Gautieri

Biotech & Bioengineering, 2020, 117, 3688
DOI: 10.1002/bit.27535

An overview on glycation: molecular mechanisms, impact on proteins, pathogenesis, and inhibition

Ana Belén Uceda, Laura Mariño, Rodrigo Casasnovas and Miquel Adrover

Biophys Rev, 2024, 16, 189
DOI: 10.1007/s12551-024-01188-4

The Anti-Amyloidogenic Action of Doxycycline: A Molecular Dynamics Study on the Interaction with Aβ42

Alfonso Gautieri, Marten Beeg, Marco Gobbi, Federica Rigoldi, Laura Colombo and Mario Salmona

IJMS, 2019, 20, 4641
DOI: 10.3390/ijms20184641