Publikationen in Zusammenarbeit mit Forschern von Institució Catalana de Recerca i Estudis Avançats (5)

2023

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

    Journal of Chemical Theory and Computation, Vol. 19, Núm. 13, pp. 3817-3824

2020

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

    Journal of Chemical Theory and Computation, Vol. 16, Núm. 7, pp. 4685-4693

  2. 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)

    Scientific Reports

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

    Scientific Reports, Vol. 10, Núm. 1

  4. Small molecule modulation of intrinsically disordered proteins using molecular dynamics simulations

    Journal of Chemical Information and Modeling, Vol. 60, Núm. 10, pp. 5003-5010