Comparative molecular dynamics simulations of amphotericin B–cholesterol/ergosterol membrane channels

Comparison of simple potential functions for simulating liquid water

William L. Jorgensen, Jayaraman Chandrasekhar, Jeffry D. Madura et al. · The Journal of Chemical Physics · 1983 · 42.1K citations

Natural Sciences, Chemistry, Physics +17

<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

Natural Sciences, Chemistry, Biomolecular Modeling +13

Polyene antibiotic-sterol interactions in membranes of Acholeplasma laidlawii cells and lecithin liposomes. III. Molecular structure of the polyene antibiotic-cholesterol complexes

Ben de Kruijff, R.A. Demel · Biochimica et Biophysica Acta (BBA) - Biomembranes · 1974 · 609 citations

Life Sciences, Biochemistry, Microbiology +16

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

Life Sciences, Biochemistry, Microbiology +17

Molecular dynamics simulations of lipid bilayers

Scott E. Feller · Current Opinion in Colloid & Interface Science · 2000 · 267 citations

Natural Sciences, Biophysics, Physics +14