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Miguel A Maria-Solano

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Recent Articles
1.
Kang H, Han A, Zhang A, Jeong H, Koh W, Lee J, et al.
Nat Commun . 2024 Jul; 15(1):5830. PMID: 38992057
Impaired ion channels regulating Golgi pH lead to structural alterations in the Golgi apparatus, such as fragmentation, which is found, along with cognitive impairment, in Alzheimer's disease. However, the causal...
2.
Maria-Solano M, Choi S
Elife . 2023 Sep; 12. PMID: 37656635
G-protein coupled receptors (GPCRs) present specific activation pathways and signaling among receptor subtypes. Hence, an extensive knowledge of the structural dynamics of the receptor is critical for the development of...
3.
Calvo-Tusell C, Maria-Solano M, Osuna S, Feixas F
J Am Chem Soc . 2022 Apr; 144(16):7146-7159. PMID: 35412310
Deciphering the molecular mechanisms of enzymatic allosteric regulation requires the structural characterization of functional states and also their time evolution toward the formation of the allosterically activated ternary complex. The...
4.
Lee J, Maria-Solano M, Vu T, Yoon S, Choi S
Biochem Soc Trans . 2022 Jan; 50(1):241-252. PMID: 35076690
There have been numerous advances in the development of computational and statistical methods and applications of big data and artificial intelligence (AI) techniques for computer-aided drug design (CADD). Drug design...
5.
Maria-Solano M, Kinateder T, Iglesias-Fernandez J, Sterner R, Osuna S
ACS Catal . 2021 Nov; 11(21):13733-13743. PMID: 34777912
Allostery is a central mechanism for the regulation of multi-enzyme complexes. The mechanistic basis that drives allosteric regulation is poorly understood but harbors key information for enzyme engineering. In the...
6.
Li G, Qin Y, Fontaine N, Chong M, Maria-Solano M, Feixas F, et al.
Chembiochem . 2020 Oct; 22(5):904-914. PMID: 33094545
Machine learning (ML) has pervaded most areas of protein engineering, including stability and stereoselectivity. Using limonene epoxide hydrolase as the model enzyme and innov'SAR as the ML platform, comprising a...
7.
Maria-Solano M, Iglesias-Fernandez J, Osuna S
J Am Chem Soc . 2019 Jul; 141(33):13049-13056. PMID: 31356074
Multimeric enzyme complexes are ubiquitous in nature and catalyze a broad range of useful biological transformations. They are often characterized by a tight allosteric coupling between subunits, making them highly...
8.
Maria-Solano M, Serrano-Hervas E, Romero-Rivera A, Iglesias-Fernandez J, Osuna S
Chem Commun (Camb) . 2018 May; 54(50):6622-6634. PMID: 29780987
The free energy landscape concept that describes enzymes as an ensemble of differently populated conformational sub-states in dynamic equilibrium is key for evaluating enzyme activity, enantioselectivity, and specificity. Mutations introduced...
9.
Li G, Maria-Solano M, Romero-Rivera A, Osuna S, Reetz M
Chem Commun (Camb) . 2017 Aug; 53(68):9454-9457. PMID: 28795696
The long-standing problem of achieving high activity of a thermophilic enzyme at low temperatures and short reaction times with little tradeoff in thermostability has been solved by directed evolution, an...
10.
Maria-Solano M, Romero-Rivera A, Osuna S
Org Biomol Chem . 2017 Apr; 15(19):4122-4129. PMID: 28436515
Alcohol Dehydrogenase (ADH) enzymes catalyse the reversible reduction of prochiral ketones to the corresponding alcohols. These enzymes present two differently shaped active site pockets, which dictate their substrate scope and...