Search for dissertations about: "Alexander P. Lyubartsev"

Found 2 swedish dissertations containing the words Alexander P. Lyubartsev.

  2. 1. Computer Simulations of Heterogenous Biomembranes

    Author : Joakim P. M. Jämbeck; Alexander P. Lyubartsev; D. Peter Tieleman; Stockholms universitet; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; Molecular simulation; force field development; biological membranes; free energy calculations; rational drug design; solute-membrane interactions; fysikalisk kemi; Physical Chemistry;

    Abstract : Molecular modeling has come a long way during the past decades and in the current thesis modeling of biological membranes is the focus. The main method of choice has been classical Molecular Dynamics simulations and for this technique a model Hamiltonian, or force field (FF), has been developed for lipids to be used for biological membranes. READ MORE

  4. 2. Development of large-scale molecular and nanomaterial models

    Author : Mikhail Ivanov; Alexander P. Lyubartsev; Arnold Maliniak; Herre Jelger Risselada; Stockholms universitet; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; Molecular simulations; Coarse-grained models; Lipids; TiO2 surface; Machine learning; Physical Chemistry; fysikalisk kemi;

    Abstract : Molecular simulations can access unique atomic-scale information about new materials, pharmaceuticals, and biological environments, making cost-effective predictions and aiding experimental studies. They are particularly useful for describing the mechanisms of nanoscale phenomena and the biological/inorganic interfaces. READ MORE