Development and testing of a general amber force field
Abstract We describe here a general Amber force field (GAFF) for organic molecules. GAFF is designed to be compatible with existing Amber force fields for proteins and nucleic a...
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1,184 publications
Delving Deep into Rectifiers: Surpassing Human-Level Performance on ImageNet Classification
Rectified activation units (rectifiers) are essential for state-of-the-art neural networks. In this work, we study rectifier neural networks for image classification from two as...
The diagnosis of dementia due to Alzheimer's disease: Recommendations from the National Institute on Aging‐Alzheimer's Association workgroups on diagnostic guidelines for Alzheimer's disease
The National Institute on Aging and the Alzheimer's Association charged a workgroup with the task of revising the 1984 criteria for Alzheimer's disease (AD) dementia. The workgr...
STRING v11: protein–protein association networks with increased coverage, supporting functional discovery in genome-wide experimental datasets
Proteins and their functional interactions form the backbone of the cellular machinery. Their connectivity network needs to be considered for the full understanding of biologica...
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 ...
A Dynamic Theory of Organizational Knowledge Creation
This paper proposes a paradigm for managing the dynamic aspects of organizational knowledge creating processes. Its central theme is that organizational knowledge is created thr...
Towards Learning Terminological Concept Systems from Multilingual Natural Language Text
Terminological Concept Systems (TCS) provide a means of organizing, structuring and representing domain-specific multilingual information and are important to ensure terminologi...
The Knowledge-Creating Company
Abstract How has Japan become a major economic power, a world leader in the automotive and electronics industries? What is the secret of their success? The consensus has been th...
A Simple, Positive Semi-Definite, Heteroskedasticity and Autocorrelation Consistent Covariance Matrix
This paper describes a simple method of calculating a heteroskedasticity and autocorrelation consistent covariance matrix that is positive semi-definite by construction. It also...
Can Quantum-Mechanical Description of Physical Reality Be Considered Complete?
In a complete theory there is an element corresponding to each element of reality. A sufficient condition for the reality of a physical quantity is the possibility of predicting...
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...