Interaction of the disaccharides trehalose and gentiobiose with lipid bilayers: A comparative molecular dynamics study

Molecular dynamics with coupling to an external bath

Herman J. C. Berendsen, Johan P. M. Postma, Wilfred F. van Gunsteren et al. · The Journal of Chemical Physics · 1984 · 30.3K citations · Full text

Vibronic Interaction, Thermodynamic Modelling, Engineering +13

Numerical integration of the cartesian equations of motion of a system with constraints: molecular dynamics of n-alkanes

Jean-Paul Ryckaert, Giovanni Ciccotti, Herman J. C. Berendsen · Journal of Computational Physics · 1977 · 21.1K citations

Numerical Analysis, Cartesian Equations, Engineering +11

Computer Simulation of Molecular Dynamics: Methodology, Applications, and Perspectives in Chemistry

Wilfred F. van Gunsteren, Herman J. C. Berendsen · Angewandte Chemie International Edition in English · 1990 · 1.5K citations

Engineering, Computational Chemistry, Chemistry +16

The GROMOS Biomolecular Simulation Program Package

Walter R. P. Scott, Philippe H. Hünenberger, Ilario G. Tironi et al. · The Journal of Physical Chemistry A · 1999 · 1.5K citations

Biophysical Modeling, Fortran77 Code, Engineering +13

Preservation of Membranes in Anhydrobiotic Organisms: The Role of Trehalose

John H. Crowe, Lois M. Crowe, D. Chapman · Science · 1984 · 1.5K citations

Proteinlipid Interaction, Engineering, Polysaccharide +18