The Protein Data Bank
The Protein Data Bank (PDB; http://www.rcsb.org/pdb/ ) is the single worldwide archive of structural data of biological macromolecules. This paper describes the goals of the PDB...
Publications
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1,194 publications
Molecular dynamics with coupling to an external bath
In molecular dynamics (MD) simulations the need often arises to maintain such parameters as temperature or pressure rather than energy and volume, or to impose gradients for stu...
GROMACS: Fast, flexible, and free
Abstract This article describes the software suite GROMACS (Groningen MAchine for Chemical Simulation) that was developed at the University of Groningen, The Netherlands, in the...
Stochastic Relaxation, Gibbs Distributions, and the Bayesian Restoration of Images
We make an analogy between images and statistical mechanics systems. Pixel gray levels and the presence and orientation of edges are viewed as states of atoms or molecules in a ...
Law and Finance
This paper examines legal rules covering protection of corporate shareholders and creditors, the origin of these rules, and the quality of their enforcement in 49 countries. The...
Inference from Iterative Simulation Using Multiple Sequences
The Gibbs sampler, the algorithm of Metropolis and similar iterative simulation methods are potentially very helpful for summarizing multivariate distributions. Used naively, ho...
Bayesian Data Analysis
I actually own a copy of Harold Jeffreys’s Theory of Probability but have only read small bits of it, most recently over a decade ago to confirm that, indeed, Jeffreys was not t...
Data Analysis Using Regression and Multilevel/Hierarchical Models
Data Analysis Using Regression and Multilevel/Hierarchical Models, first published in 2007, is a comprehensive manual for the applied researcher who wants to perform data analys...