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Electron density fitting and structure validation

Mike Carson

in Macromolecular Crystallography: conventional and high-throughput methods

Published in print:
2007
Published Online:
September 2007
ISBN:
9780198520979
eISBN:
9780191706295
Item type:
chapter
Publisher:
Oxford University Press
DOI:
10.1093/acprof:oso/9780198520979.003.0013
Subject:
Biology, Biochemistry / Molecular Biology

The Human Genome Project went three-dimensional in late 2000. ‘Structural genomics’ efforts will determine the structures of thousands of new proteins over the few years. These initiatives seek to ... More


Molecular Aggregation: Structure analysis and molecular simulation of crystals and liquids

Angelo Gavezzotti

Published in print:
2006
Published Online:
January 2010
ISBN:
9780198570806
eISBN:
9780191718779
Item type:
book
Publisher:
Oxford University Press
DOI:
10.1093/acprof:oso/9780198570806.001.0001
Subject:
Physics, Atomic, Laser, and Optical Physics

Intermolecular interactions stem from the electric properties of atoms. Being the cause of molecular aggregation, intermolecular forces are at the roots of chemistry and are the fabric of the world. ... More


Agonists and competitive antagonists: structure-activity and molecular modelling studies

D. E. JANE, H. J. OLVERMAN, and J. C. WATKINS

in The NMDA Receptor

Published in print:
1995
Published Online:
March 2012
ISBN:
9780192625021
eISBN:
9780191724701
Item type:
chapter
Publisher:
Oxford University Press
DOI:
10.1093/acprof:oso/9780192625021.003.0002
Subject:
Neuroscience, Molecular and Cellular Systems

A wealth of information has now been generated, especially from radioligand binding studies, regarding the structural requirements for agonist and antagonist binding to the glutamate recognition site ... More


Molecular simulation: a virtual microscope in the toolbox of integrated structural biology

François Dehez

in From Molecules to Living Organisms: An Interplay Between Biology and Physics: Lecture Notes of the Les Houches School of Physics: Volume 102, July 2014

Published in print:
2016
Published Online:
March 2016
ISBN:
9780198752950
eISBN:
9780191814426
Item type:
chapter
Publisher:
Oxford University Press
DOI:
10.1093/acprof:oso/9780198752950.003.0013
Subject:
Physics, Soft Matter / Biological Physics

Accessing the full atomistic details of complex biological processes in near physiological conditions remains challenging at the experimental level. The development of molecular modeling approaches, ... More


Equilibrium and Non-Equilibrium Collisional Regimes

Raymond Brun

in Introduction to Reactive Gas Dynamics

Published in print:
2009
Published Online:
May 2009
ISBN:
9780199552689
eISBN:
9780191720277
Item type:
chapter
Publisher:
Oxford University Press
DOI:
10.1093/acprof:oso/9780199552689.003.0003
Subject:
Physics, Theoretical, Computational, and Statistical Physics

This chapter defines collisional regimes of gaseous flows, including equilibrium and non-equilibrium situations which are described with Euler equations. It examines monatomic and diatomic gas flows, ... More


Models and Mechanisms: Physical Understanding in the Nineteenth Century

Henk W. de Regt

in Understanding Scientific Understanding

Published in print:
2017
Published Online:
August 2017
ISBN:
9780190652913
eISBN:
9780190652944
Item type:
chapter
Publisher:
Oxford University Press
DOI:
10.1093/oso/9780190652913.003.0006
Subject:
Philosophy, Philosophy of Science

This chapter analyzes the role of mechanical modeling in nineteenth-century physics, showing how precisely mechanical models were used to enhance scientific understanding. It discusses the work and ... More


Missing Elements: What Philosophers of Science Might Discover in Chemistry

Andrea Woody and Clark Glymour

in Of Minds and Molecules: New Philosophical Perspectives on Chemistry

Published in print:
2000
Published Online:
November 2020
ISBN:
9780195128345
eISBN:
9780197561416
Item type:
chapter
Publisher:
Oxford University Press
DOI:
10.1093/oso/9780195128345.003.0008
Subject:
Chemistry, Theoretical Chemistry

In the late middle ages, chemistry was the science and technology closest to philosophy, the material realization of the method of analysis and synthesis. No longer. Contemporary philosophy is ... More


Scalability, Random Surfaces, and Synchronized Computing Networks

Zoltan Toroczkai and György Korniss

in Computational Complexity and Statistical Physics

Published in print:
2005
Published Online:
November 2020
ISBN:
9780195177374
eISBN:
9780197562260
Item type:
chapter
Publisher:
Oxford University Press
DOI:
10.1093/oso/9780195177374.003.0020
Subject:
Computer Science, Mathematical Theory of Computation

In most cases, it is impossible to describe and understand complex system dynamics via analytical methods. The density of problems that are rigorously solvable with analytic tools is vanishingly ... More


From Molecules to Living Organisms: An Interplay Between Biology and Physics: Lecture Notes of the Les Houches School of Physics: Volume 102, July 2014

Eva Pebay-Peyroula, Hugues Nury, François Parcy, Rob W. H. Ruigrok, Christine Ziegler, and Leticia F. Cugliandolo (eds)

Published in print:
2016
Published Online:
March 2016
ISBN:
9780198752950
eISBN:
9780191814426
Item type:
book
Publisher:
Oxford University Press
DOI:
10.1093/acprof:oso/9780198752950.001.0001
Subject:
Physics, Soft Matter / Biological Physics

The aim of this book is to provide new ideas for studying living matter by a simultaneous understanding of behavior from molecules to the cell, to the whole organism in the light of physical ... More


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