During recent decades it has become feasible to simulate the dynamics of molecular
systems on a computer. The method of molecular dynamics (MD) solves Newton's equations …

The introduction of nuclear magnetic resonance (NMR) spectroscopy as a second method
for protein structure determination at atomic resolution, in addition to x-ray diffraction in …

Summary The AQUA and PROCHECK-NMR programs provide a means of validating the
geometry and restraint violations of an ensemble of protein structures solved by solution …

The new program Dyana (DYnamics Algorithm for Nmr Applications) for efficient calculation
of three-dimensional protein and nucleic acid structures from distance constraints and …

We present the newest version of the GROningen MOlecular Simulation program package,
GROMOS96. GROMOS96 has been developed for the dynamic modelling of (bio) molecules …

During the last 5 years, since its first application to biomolecules, two-dimensional nuclear
Overhauser effect (2D NOE) has become an extremely powerful technique for assignment of …

The high-resolution three-dimensional structure of a single immunoglobulin binding domain
(B1, which comprises 56 residues including the NH2-terminal Met) of protein G from group G …

The three-dimensional solution structure of a zinc finger nucleic acid binding motif has been
determined by nuclear magnetic resonance (NMR) spectroscopy. Spectra of a synthetic …

A determination of the solution conformation of the proteinase inhibitor IIA from bull seminal
plasma (BUSI IIA) is described. Two-dimensional nuclear Overhauser enhancement …

To understand the workings of a living cell, we need to know the architectures of its
macromolecular assemblies. Here we show how proteomic data can be used to determine …