<i>Coot</i>: model-building tools for molecular graphics
CCP4mg is a project that aims to provide a general-purpose tool for structural biologists, providing tools for X-ray structure solution, structure comparison and analysis, and p...
Publications
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9,769 publications
An Algorithm for Least-Squares Estimation of Nonlinear Parameters
Previous article Next article An Algorithm for Least-Squares Estimation of Nonlinear ParametersDonald W. MarquardtDonald W. Marquardthttps://doi.org/10.1137/0111030PDFPDF PLUSBi...
Rethinking the Inception Architecture for Computer Vision
Convolutional networks are at the core of most state of-the-art computer vision solutions for a wide variety of tasks. Since 2014 very deep convolutional networks started to bec...
The M06 suite of density functionals for main group thermochemistry, thermochemical kinetics, noncovalent interactions, excited states, and transition elements: two new functionals and systematic testing of four M06-class functionals and 12 other functionals
We present two new hybrid meta exchange- correlation functionals, called M06 and M06-2X. The M06 functional is parametrized including both transition metals and nonmetals, where...
Cancer incidence and mortality worldwide: Sources, methods and major patterns in GLOBOCAN 2012
Estimates of the worldwide incidence and mortality from 27 major cancers and for all cancers combined for 2012 are now available in the GLOBOCAN series of the International Agen...
A Computational Approach to Edge Detection
This paper describes a computational approach to edge detection. The success of the approach depends on the definition of a comprehensive set of goals for the computation of edg...
Features and development of <i>Coot</i>
Coot is a molecular-graphics application for model building and validation of biological macromolecules. The program displays electron-density maps and atomic models and allows ...
Clinical diagnosis of Alzheimer's disease
Clinical criteria for the diagnosis of Alzheimer's disease include insidious onset and progressive impairment of memory and other cognitive functions. There are no motor, sensor...
Statistical Learning Theory
A comprehensive look at learning and generalization theory. The statistical theory of learning and generalization concerns the problem of choosing desired functions on the basis...
Greedy function approximation: A gradient boosting machine.
Function estimation/approximation is viewed from the perspective\nof numerical optimization in function space, rather than parameter space. A\nconnection is made between stagewi...