From Atomic to Mesoscopic Descriptions of the Internal Dynamics of DNA

Particle mesh Ewald: An <i>N</i>⋅log(<i>N</i>) method for Ewald sums in large systems

Tom Darden, Darrin M. York, Lee G. Pedersen · The Journal of Chemical Physics · 1993 · 29.8K citations · Full text

Numerical Analysis, Engineering, Electrostatic Energies +18

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

A Second Generation Force Field for the Simulation of Proteins, Nucleic Acids, and Organic Molecules

Wendy D. Cornell, Piotr Cieplak, Christopher I. Bayly et al. · Journal of the American Chemical Society · 1995 · 13.1K citations

Overstretching B-DNA: The Elastic Response of Individual Double-Stranded and Single-Stranded DNA Molecules

Steven B. Smith, Yujia Cui, Carlos Bustamante · Science · 1996 · 2.7K citations

Crystal structure of a yeast TBP/TATA-box complex

Youngchang Kim, James H. Geiger, Steven Hahn et al. · Nature · 1993 · 1.1K citations

Crystal Structure, Protein X-ray Crystallography, Molecular Biology +2