Publications
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The Cambridge Structural Database: a quarter of a million crystal structures and rising
The Cambridge Structural Database (CSD) now contains data for more than a quarter of a million small-molecule crystal structures. The information content of the CSD, together wi...
Efficacy and Safety of the mRNA-1273 SARS-CoV-2 Vaccine
The mRNA-1273 vaccine showed 94.1% efficacy at preventing Covid-19 illness, including severe disease. Aside from transient local and systemic reactions, no safety concerns were ...
On Estimation of a Probability Density Function and Mode
Abstract : Given a sequence of independent identically distributed random variables with a common probability density function, the problem of the estimation of a probability de...
IMPROVEMENTS IN EPOXY RESIN EMBEDDING METHODS
Epoxy embedding methods of Glauert and Kushida have been modified so as to yield rapid, reproducible, and convenient embedding methods for electron microscopy. The sections are ...
Self-Consistent Molecular-Orbital Methods. IX. An Extended Gaussian-Type Basis for Molecular-Orbital Studies of Organic Molecules
An extended basis set of atomic functions expressed as fixed linear combinations of Gaussian functions is presented for hydrogen and the first-row atoms carbon to fluorine. In t...
Data Structures for Statistical Computing in Python
In this paper we are concerned with the practical issues of working with data sets common to finance, statistics, and other related fields. pandas is a new library which aims to...
ff14SB: Improving the Accuracy of Protein Side Chain and Backbone Parameters from ff99SB
Molecular mechanics is powerful for its speed in atomistic simulations, but an accurate force field is required. The Amber ff99SB force field improved protein secondary structur...
Active contours without edges
We propose a new model for active contours to detect objects in a given image, based on techniques of curve evolution, Mumford-Shah (1989) functional for segmentation and level ...
Cancer Statistics, 2008
Each year, the American Cancer Society estimates the number of new cancer cases and deaths expected in the United States in the current year and compiles the most recent data on...
Introduction to Fourier optics
The fourth edition of this respected text considerably expands the original and reflects the tremendous advances made in the discipline since 1968. All material has been thoroug...