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Department of Physics

Research Topics

The Risselada group employs molecular simulation techniques to tackle re­le­vant problems in the field of biophysics and related molecular fields within a multidisciplinary and inter­dis­ci­plin­ary re­search environment (e.g., the Resolv excellence cluster). Particularly, we focus on the development of enhanced sampling and multiscale methods to study phenomena occurring at fluid (e.g., biological lipid membranes) and solid interfaces (e.g., metal interfaces and graphene). An im­por­tant current focuses is on a subject coined "facial recognition of fluid interfaces", i.e., how can (bio)mol­ecules optimally recognize and bind fluid interfaces despite their highly disordered and dynamic nature. To this aim, we develop evolutionary molecular dynamics simulations (evo-MD) methods which couple evolutionary algorithms (sampling of chemical space) to coarse-grained molecular dynamic simulations (sampling of phase-space) to resolve the global optima in chemical space. In essence, evo-MD enables mol­ecules to adapt themselves to optimally recognize fluid interfaces in the course of a simulated evolution. Our re­search may yield unique insights on how biomolecules such as peptides and proteins recognize distinct fluid features in biological lipid membranes with interesting applications for the fields of drug de­sign, surfactant de­sign, and the de­sign of (bio)sensors.

Protein-mediated membrane fusion

Illustration for section Protein-mediated membrane fusion © Herre Jelger Risselada​/​TU Dortmund

Selected publications

  • E.M. Blokhuis, M. D'Agostino, A. Mayer, H.J. Risselada
    Fusion pores live on the edge
    J. Chem. Phys. Lett., 11(4):1204–1208, 2020
  • Y.G. Smirnova, H.J. Risselada, M. Müller
    Thermodynamically reversible paths of the first fusion intermediate reveal an important role for membrane anchors of fusion proteins
    PNAS 116(7): 2571-2576, 2019
  • M. D'Agostino, H. J. Risselada, A. Lürick, C. Ungermann, and A. Mayer
    A tethering complex drives the terminal stage of SNARE-dependent membrane fusion
    Nature, 551: 634-638, 2017
  • M. D'Agostino, H.J. Risselada, A. Mayer
    Steric hindrance of SNARE transmembrane domain organization impairs the hemifusion-to-fusion transition
    EMBO reports, 17(11):1590-1608, 2016
  • H.J. Risselada
    Simulations Move Toward a Cure for Viral Diseases
    Structure, 23(3):439-440, 2015
  • H.J. Risselada, Y. Smirnova, H. Grubmüller
    Free energy landscape of rim-pore expansion in membrane fusion
    Biophys. J., 107: 2287-2295, 2014
  • H.J. Risselada, G. Bubnis, H. Grubmüller
    Expansion of the fusion stalk and its implication for biological membrane fusion
    Proc. Natl. Acad. Sci. USA., 111:11043-110487, 2014

Latteral organisation of membranes

Illustration for section Latteral organisation of membranes © Herre Jelger Risselada​/​TU Dortmund

Selected publications

  • H.J. Risselada
    Membrane fusion stalks and 'lipid rafts': A love-hate Relationship
    Biophysical J. (Letter), 112(12): 2475-2478, 2017
  • D. Milovanovic, A. Honigmann,..., H.J. Risselada, ..., S.W. Hell, G. Van den Bogaart, R. Jahn
    Hydrophobic mismatch sorts SNARE proteins into distinct membrane domains
    Nature communications, 6:5984, 2015
  • T. Fischer, H.J. Risselada, R.L.C Vink
    Membrane lateral structure: The influence of immobilized particles on domain size
    Phys. Chem. Chem. Phys., 14:14500-14508, 2012
  • G. Van den Bogaart, K. Meyenberg K, H.J. Risselada, H. Amin, K.I. Willig, B.E. Hubrich, M. Dier, S.W. Hell, H. Grubmüller, U. Diederichsen, R. Jahn
    Membrane protein sequestering by ionic protein-lipid Interactions
    Nature, 479:552-55, 2011
  • H.J. Risselada, S.J. Marrink, M. Müller
    Curvature-dependent elastic properties of liquid-ordered domains result in inverted domain sorting on uni-axially compressed vesicles
    Phys. Rev. Lett., 106: 148102, 2011

Soft (bio)materials @ solid surfaces

Illustration for section Soft (bio)materials @ solid surfaces © Herre Jelger Risselada​/​TU Dortmund

Selected publications

  • L.A. Belyaeva, L. Jiang, A. Soleimani, J. Methorst, H.J. Risselada, G.F. Schneider
    Liquids relax and unify strain in graphene
    Nat. Comm. 11(898), 2020
  • A. Gladytz, B. Abel, H.J. Risselada
    Gold-Induced Fibril Growth:The Mechanism of Surface-Facilitated Amyloid Aggregation
    Angew. Chem. Int. Ed. 55:12242-46, 2016

Morphologies of (bioinspired) surfactant assemblies

Illustration for section Morphologies of (bioinspired) surfactant assemblies © Herre Jelger Risselada​/​TU Dortmund

Selected publications

  • Laura J. Endter, H.J. Risselada
    Where are those lipidic nano rings?
    J. Colloid Interface Sci., 587:789-796, 2020
     
  • Laura J. Endter, Y.G.Smirnova, H.J. Risselada
    Density Field Thermodynamic Integration (DFTI): A ’soft’ approach to calculate the free energy of surfactant self-assemblies
    J. Phys. Chem. B, 124(31):6775–6785, 2020