Theoretical study of the complexation of amphotericin B with sterols

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

<scp>CHARMM</scp>: A program for macromolecular energy, minimization, and dynamics calculations

Bernard R. Brooks, Robert E. Bruccoleri, Barry D. Olafson et al. · Journal of Computational Chemistry · 1983 · 14.9K citations

Engineering, Molecular Biology, Empirical Energy Function +21

Computer "Experiments" on Classical Fluids. I. Thermodynamical Properties of Lennard-Jones Molecules

Loup Verlet · Physical Review · 1967 · 9.2K citations · Full text

Engineering, Lennard-jones Potential, Fluid Mechanics +21

Algorithms for macromolecular dynamics and constraint dynamics

Wilfred F. van Gunsteren, Herman J. C. Berendsen · Molecular Physics · 1977 · 1.7K citations

Polyene antibiotic-sterol interactions in membranes of Acholeplasma laidlawii cells and lecithin liposomes. I. Specificity of the membrane permeability changes induced by the polyene antibiotics

Ben de Kruijff, W.J. Gerritsen, A. Oerlemans et al. · Biochimica et Biophysica Acta (BBA) - Biomembranes · 1974 · 330 citations

Polyene Antibiotic-sterol Interactions, Membrane Structure, Lecithin Liposomes +9