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Statistics for Experimenters

by Gerald O. Hunter, Matthias Zeller, Brian D. Leskiw, Bruker Smart, Apex Ccd , 2005
"... R factor = 0.052; wR factor = 0.114; data-to-parameter ratio = 18.4. The title compound, [Zn(C8H10F3O2)2(CH4O)2], is a dimethanol coordinated zinc complex with the acetyl acetonate derivative 1,1,1-trifluoro-5,5-dimethylhexane-2,4dionate. The bis--diketonate complex, which is isostructural with its ..."
Abstract - Cited by 675 (1 self) - Add to MetaCart
R factor = 0.052; wR factor = 0.114; data-to-parameter ratio = 18.4. The title compound, [Zn(C8H10F3O2)2(CH4O)2], is a dimethanol coordinated zinc complex with the acetyl acetonate derivative 1,1,1-trifluoro-5,5-dimethylhexane-2,4dionate. The bis--diketonate complex, which is isostructural with its

Nonlinear spatial normalization using basis functions

by John Ashburner, Karl J. Friston - Human Brain Mapping , 1999
"... Abstract: We describe a comprehensive framework for performing rapid and automatic nonlabel-based nonlinear spatial normalizations. The approach adopted minimizes the residual squared difference between an image and a template of the same modality. In order to reduce the number of parameters to be f ..."
Abstract - Cited by 329 (19 self) - Add to MetaCart
Abstract: We describe a comprehensive framework for performing rapid and automatic nonlabel-based nonlinear spatial normalizations. The approach adopted minimizes the residual squared difference between an image and a template of the same modality. In order to reduce the number of parameters

Knowledge-based protein secondary structure assignment

by Dmitrij Frishman, Patrick Argos - Proteins , 1995
"... ABSTRACT We have developed an auto-matic algorithm STRIDE for protein secondary structure assignment from atomic coordinates based on the combined use of hydrogen bond energy and statistically derived backbone tor-sional angle information. Parameters of the pattern recognition procedure were optimiz ..."
Abstract - Cited by 324 (2 self) - Add to MetaCart
ABSTRACT We have developed an auto-matic algorithm STRIDE for protein secondary structure assignment from atomic coordinates based on the combined use of hydrogen bond energy and statistically derived backbone tor-sional angle information. Parameters of the pattern recognition procedure were

The complexity of reasoning with boolean modal logics

by Carsten Lutz, Ulrike Sattler - LTCSReport 00-02, LuFG Theoretical Computer Science, RWTH , 2001
"... 1 Motivation Since Modal Logics are an extension of Propositional Logic, they provide Boolean operators for constructing complex formulae. However, most Modal Logics do not admit Boolean operators for constructing complex modal parameters to be used in the box and diamond operators. This asymmetry i ..."
Abstract - Cited by 46 (6 self) - Add to MetaCart
is not present in Boolean Modal Logics, in which box and diamond quantify over arbitrary Boolean combinations of atomic modal parameters [9]. Boolean Modal Logics have been considered in various forms and contexts: 1. "Pure " Boolean Modal Logic has been studied in [9]. Negation

Development and testing of the OPLS all-atom force field on conformational energetics and properties of organic liquids

by William L. Jorgensen, David S. Maxwell, Julian Tirado-rives - J. Am. Chem. Soc , 1996
"... ReceiVed June 27, 1996. ReVised Manuscript ReceiVed September 5, 1996X Abstract: The parametrization and testing of the OPLS all-atom force field for organic molecules and peptides are described. Parameters for both torsional and nonbonded energetics have been derived, while the bond stretching and ..."
Abstract - Cited by 231 (3 self) - Add to MetaCart
ReceiVed June 27, 1996. ReVised Manuscript ReceiVed September 5, 1996X Abstract: The parametrization and testing of the OPLS all-atom force field for organic molecules and peptides are described. Parameters for both torsional and nonbonded energetics have been derived, while the bond stretching

A point-charge force field for molecular mechanics simulations of proteins based on condensed-phase QM calculations

by Yong Duan, Chun Wu, Shibasish Chowdhury, Mathew C. Lee, Guoming Xiong - J. Comput. Chem , 2003
"... Abstract: Molecular mechanics models have been applied extensively to study the dynamics of proteins and nucleic acids. Here we report the development of a third-generation point-charge all-atom force field for proteins. Following the earlier approach of Cornell et al., the charge set was obtained b ..."
Abstract - Cited by 229 (6 self) - Add to MetaCart
Abstract: Molecular mechanics models have been applied extensively to study the dynamics of proteins and nucleic acids. Here we report the development of a third-generation point-charge all-atom force field for proteins. Following the earlier approach of Cornell et al., the charge set was obtained

Development and testing of a general amber force field.

by Junmei Wang , Romain M Wolf , James W Caldwell , Peter A Kollman , David A Case - J Comput Chem;25:1157–1174. , 2004
"... 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 acids, and has parameters for most organic and pharmaceutical molecules that are composed of H, C, N, O, S, P, and halogen ..."
Abstract - Cited by 214 (4 self) - Add to MetaCart
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 acids, and has parameters for most organic and pharmaceutical molecules that are composed of H, C, N, O, S, P

Parameterized Modeling and Recognition of Activities

by Yaser Yacoob, Michael Black - Computer Vision and Image Understanding , 1999
"... this paper we consider a class of human activities--atomic activities--which can be represented as a set of measurements over a finite temporal window (e.g., the motion of human body parts during a walking cycle) and which has a relatively small space of variations in performance. A new approach for ..."
Abstract - Cited by 203 (7 self) - Add to MetaCart
this paper we consider a class of human activities--atomic activities--which can be represented as a set of measurements over a finite temporal window (e.g., the motion of human body parts during a walking cycle) and which has a relatively small space of variations in performance. A new approach

Calculating posterior distributions and modal estimates in Markov mixture models

by Siddhartha Chib - Journal of Econometrics , 1996
"... This paper is concerned with finite mixture models in which the populations from one observation to the next are selected according to an unobserved Markov process. A new, full Bayesian approach based on the method of Gibbs sampling is developed. Calculations are simplified by data augmentation, ach ..."
Abstract - Cited by 148 (9 self) - Add to MetaCart
, achieved by introducing a population index variable into the list of unknown parameters. It is shown that the latent variables, one for each observation, can be simulated from their joint distribution given the data and the remaining parameters. This result serves to accelerate the convergence of the Gibbs

A Summary Review of Vibration-Based Damage Identification Methods

by Scott W. Doebling, Charles R. Farrar, Michael B. Prime - Identification Methods,” The Shock and Vibration Digest , 1998
"... This paper provides an overview of methods to detect, locate, and characterize damage in structural and mechanical systems by examining changes in measured vibration response. Research in vibration-based damage identification has been rapidly expanding over the last few years. The basic idea behind ..."
Abstract - Cited by 183 (2 self) - Add to MetaCart
this technology is that modal parameters (notably frequencies, mode shapes, and modal damping) are functions of the physical properties of the structure (mass, damping, and stiffness). Therefore, changes in the physical properties will cause detectable changes in the modal properties. The motivation
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