Publikacje

Typ publikacji:Wszystko Książka Artykuł Rozdział
Lista filadelfijska:Wszystko Tak Nie  



2018
  • J. Rydzewski, W. Nowak,
    "Photoinduced Transport in an H64Q Neuroglobin Antidote for Carbon Monoxide Poisoning"
    J. Chem. Phys. 148(11) (2018), -
    DOI:





2017
  • J. Rydzewski, W. Nowak,
    "Ligand diffusion in proteins via enhanced sampling in molecular dynamics"
    Phys. Life Rev. 22-23 (2017), 58- 74
    DOI: 10.1016/j.plrev.2017.03.003

  • J. Rydzewski, W. Nowak,
    "Rare-event sampling in ligand diffusion: Reply to comments on “Ligand diffusion in proteins via enhanced sampling in molecular dynamics”"
    Phys. Life Rev. 22-23 (2017), 82- 85
    DOI: 10.1016/j.plrev.2017.08.011

  • J. Rydzewski, W. Nowak,
    "Thermodynamics of camphor migration in cytochrome P450cam by atomistic simulations"
    Sci. Rep. 7 (2017), 7736-
    DOI: https://www.nature.com/articles/s41598-017-07993-0





2016
  • J. Rydzewski, R. Jakubowski, prof. Giuseppe Nicosia, W. Nowak,
    "Conformational sampling of a biomolecular rugged energy landscape"
    IEEE/ACM Trans. Comput. Biol. (2016), -
    DOI: 10.1109/TCBB.2016.2634008

  • J. Rydzewski, W. Nowak,
    "Machine learning based dimensionality reduction facilitates ligand diffusion paths assessment: a case of cytochrome P450cam"
    J. Chem. Theory Comput. (2016), -
    DOI: 10.1021/acs.jctc.6b00212

  • J. Rydzewski, W. Nowak,
    "Molecular Dynamics Simulations of Large Systems in Electronic Excited States"
    in (editor), Handbook of Computational Chemistry, Springer, Netherlands (2016), pp. 1917-1941
    ISBN: 978-94-007-6169-8





2015
  • J. Rydzewski, R. Jakubowski, W. Nowak,
    "Entropic measure to prevent energy over-minimization in molecular dynamics simulations"
    J. Chem. Phys. 143(19) (2015), 171103
    DOI: 10.1063/1.4935370

  • J. Rydzewski, W. Nowak, Giussepe Nicosia,
    "Inferring pathological states in cortical neuron microcircuits"
    J. Theor. Biol. 386 (2015), 34-43
    DOI: doi:10.1016/j.jtbi.2015.09.004

  • J. Rydzewski, W. Nowak,
    "Memetic algorithms for ligand expulsion from protein cavities"
    J. Chem. Phys. 143(12) (2015), 124101-
    DOI: 10.1063/1.4931181

  • J. Rydzewski, Wojciech Strzałka, W. Nowak,
    "Nanomechanics of PCNA: A protein-made DNA sliding clamp"
    Chem. Phys. Lett. 634 (2015), 236-242
    DOI: doi:10.1016/j.cplett.2015.06.027

  • R. Jakubowski, J. Rydzewski, W. Nowak,
    "On the role of metal ions in synaptic proteins assembly"
    Protein Sci. 24 (2015), 161-162