Sergio Martí's picture
Research Group: RG9. Computational Biochemistry
Office: TC1218DD
Workphone: 964728073
E-mail: smarti@uji.es
Address:
Institute of Advanced Materials (INAM)
Universitat Jaume I
12006 Castelló
Spain
Researcher information:
ORCID: http://orcid.org/0000-0002-1087-7143
Researcher ID: http://www.researcherid.com/rid/G-7844-2015
Google scholar: https://scholar.google.es/citations?user=MtGcyqwAAAAJ
Bio and research interests
Degree in Chemistry from the Universitat Jaume I (1997). Doctor in Chemistry from the Universitat Jaume I 2002) under the supervision of Prof. Iñaki Tuñón and Prof. Vicent Moliner. Several post-doctoral stays between 2002 and 2005 in University of Bath (Bath, UK) with Prof. I.H. Williams, in the Institut de Biologie Structurale Jean-Pierre Ebel (Grenoble, France) with Dr. M. Field, in the Université Henri Poincaré (Nancy, France) with Prof. M.F. Ruiz-López, and in the University of Minnesota (Minneapolis, USA) with Prof. J. Gao. His research is focused in the development of computational techniques to study of biological systems.

Publications

2023

  1. Journal of Chemical Informatics and Modeling, 2023, 63, 1301-1312.

    Arafet, K.; Scalvini, L.; Galvani, F.; Martí, S.; Moliner, V.; Mor, M.; Lodola, A.

    Mechanistic Modeling of Lys745 Sulfonylation in EGFR C797S Reveals Chemical Determinants for Inhibitor Activity and Discriminates Reversible from Irreversible Agents.

  2. Journal of Chemical Informatics and Modeling, 2023,

    Movilla, S.; Martí, S.; Roca, M.; Moliner, V.

    Computational Study of the Inhibition of RgpB Gingipain, a Promising Target for the Treatment of Alzheimer’s Disease.

2022

  1. ACS Catalysis, 2022, 12, 698-708.

    Martí, S.; Arafet, K.; Lodola, A.; Mulholland, A.J.; Świderek, K.; Moliner, V.

    Impact of Warhead Modulations on the Covalent Inhibition of SARS-CoV-2 Mpro Explored by QM/MM Simulations.

2021

  1. Journal of Chemical Informatics and Modeling, 2021, 61, 4582–4593.

    Movilla, S.; Martí, S.; Roca, M.; Moliner, V.

    Unrevealing the Proteolytic Activity of RgpB Gingipain from Computational Simulations.

  2. PROTEINS: Structure, Function and Bioinformatics, 2021, 1-13.

    da Costa, C.Henrique S.; Santos, A.M. dos; Alves, C.audioNahum; Martí, S.; Moliner, V.; Santana, K.; Lameira, J.

    Assessment of the PETase conformational changes induced by poly(ethylene terephthalate) binding.

    Article page: https://onlinelibrary.wiley.com/doi/pdf/10.1002/prot.26155

  3. Journal of Computational Chemistry, 2021, 42, 447–457.

    Martí, S.

    QMCube (QM3): An all-purpose suite for multiscale QM/MM calculations.

    Article page: https://onlinelibrary.wiley.com/doi/full/10.1002/jcc.26465

  4. Chemical Communications, 2021, 57, 5306–5309.

    De Raffele, D.; Martí, S.; Moliner, V.

    A QM/MM study on the origin of retro-aldolase activity of a catalytic antibody.

    Article page: https://pubs.rsc.org/en/content/articlepdf/2021/cc/d1cc01081f