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...
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A unified formulation of the constant temperature molecular dynamics methods
Three recently proposed constant temperature molecular dynamics methods by: (i) Nosé (Mol. Phys., to be published); (ii) Hoover et al. [Phys. Rev. Lett. 48, 1818 (1982)], and Ev...
The Coding Manual for Qualitative Researchers
An Introduction to Codes and Coding Chapter Summary Purposes of the Manual What Is a Code? Codifying and Categorizing What Gets Coded? The Mechanics of Coding The Numbers of Cod...
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 ...
Significance tests and goodness of fit in the analysis of covariance structures.
Factor analysis, path analysis, structural equation modeling, and related multivariate statistical methods are based on maximum likelihood or generalized least squares estimatio...
Characteristics of and Important Lessons From the Coronavirus Disease 2019 (COVID-19) Outbreak in China
This Viewpoint summarizes key epidemiologic and clinical findings from all cases of coronavirus disease 2019 (COVID-19) reported through February 11, 2020, in mainland China, an...
Genetic Algorithms in Search, Optimization and Machine Learning
David Goldberg's Genetic Algorithms in Search, Optimization and Machine Learning is by far the bestselling introduction to genetic algorithms. Goldberg is one of the preeminent ...
Early Transmission Dynamics in Wuhan, China, of Novel Coronavirus–Infected Pneumonia
On the basis of this information, there is evidence that human-to-human transmission has occurred among close contacts since the middle of December 2019. Considerable efforts to...
Longitudinal data analysis using generalized linear models
This paper proposes an extension of generalized linear models to the analysis of longitudinal data. We introduce a class of estimating equations that give consistent estimates o...