Scalable molecular dynamics with NAMD
Abstract NAMD is a parallel molecular dynamics code designed for high‐performance simulation of large biomolecular systems. NAMD scales to hundreds of processors on high‐end par...
Publications
Explore 10,000 academic publications
Showing 12 of
10,000 publications
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...
Cancer Statistics, 2021
Abstract Each year, the American Cancer Society estimates the numbers of new cancer cases and deaths in the United States and compiles the most recent data on population‐based c...
Bootstrap Methods: Another Look at the Jackknife
We discuss the following problem: given a random sample $\\mathbf{X} = (X_1, X_2, \\cdots, X_n)$ from an unknown probability distribution $F$, estimate the sampling distribution...
Introduction to Algorithms
From the Publisher: The updated new edition of the classic Introduction to Algorithms is intended primarily for use in undergraduate or graduate courses in algorithms or data s...
Probabilistic Reasoning in Intelligent Systems: Networks of Plausible Inference
Probabilistic Reasoning in Intelligent Systems is a complete and accessible account of the theoretical foundations and computational methods that underlie plausible reasoning un...
Theory of games and economic behavior
This is the classic work upon which modern-day game theory is based. What began more than sixty years ago as a modest proposal that a mathematician and an economist write a shor...
The Framing of Decisions and the Psychology of Choice
The psychological principles that govern the perception of decision problems and the evaluation of probabilities and outcomes produce predictable shifts of preference when the s...
Self-consistent molecular orbital methods. XX. A basis set for correlated wave functions
A contracted Gaussian basis set (6-311G**) is developed by optimizing exponents and coefficients at the Mo/ller–Plesset (MP) second-order level for the ground states of first-ro...
Foundations of social theory
As firms move toward a more disciplined approach to e-business strategic planning, managers are seeking metrics that will help them analyze the success of their e-business inves...
The PRISMA statement for reporting systematic reviews and meta-analyses of studies that evaluate healthcare interventions: explanation and elaboration
Systematic reviews and meta-analyses are essential to summarise evidence relating to efficacy and safety of healthcare interventions accurately and reliably. The clarity and tra...