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Herrera Nieto, Pablo

Ciencias de la Computación / Universidad de Alcalá

Publications

Small molecule modulation of intrinsically disordered proteins using molecular dynamics simulations

  • Herrera-Nieto, P.
  • Perez, A.
  • de Fabritiis, G.

Journal of Chemical Information and Modeling (p. 5003-5010) - 2020

Editor: American Chemical Society

10.1021/acs.jcim.0c00381 View at source

  • ISSN/ISBN 1549-960X

EvAM-Tools: tools for evolutionary accumulation and cancer progression models

  • Diaz-Uriarte, R.
  • Herrera-Nieto, P.

Bioinformatics (p. 5457-5459) - 13/12/2022

Editor: NLM (Medline)

10.1093/bioinformatics/btac710 View at source

  • ISSN 13674803
  • ISSN/ISBN 1367-4811

Characterization of partially ordered states in the intrinsically disordered N-terminal domain of p53 using millisecond molecular dynamics simulations

  • Herrera-Nieto, P.
  • Pérez, A.
  • De Fabritiis, G.

Scientific Reports - 2020

Editor: Nature Research

10.1038/s41598-020-69322-2 View at source

  • ISSN/ISBN 2045-2322

Binding-and-Folding Recognition of an Intrinsically Disordered Protein Using Online Learning Molecular Dynamics

  • Herrera-Nieto, P.
  • Pérez, A.
  • De Fabritiis, G.

Journal of Chemical Theory and Computation - 2023

Editor: American Chemical Society

10.1021/acs.jctc.3c00008 View at source

  • ISSN/ISBN 1549-9626

Author Correction: Characterization of partially ordered states in the intrinsically disordered N-terminal domain of p53 using millisecond molecular dynamics simulations (Scientific Reports, (2020), 10, 1, (12402), 10.1038/s41598-020-69322-2)

  • Herrera-Nieto, P.
  • Pérez, A.
  • De Fabritiis, G.

Scientific Reports - 2020

Editor: Nature Research

10.1038/s41598-020-72315-w View at source

  • ISSN/ISBN 2045-2322

AdaptiveBandit: A Multi-armed Bandit Framework for Adaptive Sampling in Molecular Simulations

  • Pérez, A.
  • Herrera-Nieto, P.
  • Doerr, S.
  • De Fabritiis, G.

Journal of Chemical Theory and Computation (p. 4685-4693) - 2020

Editor: American Chemical Society

10.1021/acs.jctc.0c00205 View at source

  • ISSN/ISBN 1549-9626

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Last data update: 9/16/23 6:46 PM