Download PDF by Hin Hark Gan, Tamar Schlick (auth.), Tamar Schlick, Hin Hark: Computational Methods for Macromolecules: Challenges and

By Hin Hark Gan, Tamar Schlick (auth.), Tamar Schlick, Hin Hark Gan (eds.)

ISBN-10: 3540437568

ISBN-13: 9783540437567

ISBN-10: 3642560806

ISBN-13: 9783642560804

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REVIEW through ANDRZEJ KLOCZKOWSKI, BAKER heart FOR BIOINFORMATICS AND organic records, IOWA kingdom UNIVERSITY

"The authors of the articles within the publication are the pinnacle experts of their fields and the e-book provides the present cutting-edge for the vast spectrum of all at present used equipment and methods of macromolecular modeling. The booklet could be very valuable for all readers attracted to the computational modeling of macromolecules. numerous articles within the ebook disguise assorted facets of protein modeling, so i might hugely suggest this booklet to all readers drawn to modeling of proteins."

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Read Online or Download Computational Methods for Macromolecules: Challenges and Applications: Proceedings of the 3rd International Workshop on Algorithms for Macromolecular Modeling, New York, October 12–14, 2000 PDF

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Additional resources for Computational Methods for Macromolecules: Challenges and Applications: Proceedings of the 3rd International Workshop on Algorithms for Macromolecular Modeling, New York, October 12–14, 2000

Example text

A. Scheraga , Theory of helix-coil transitions in biop olymers. Acad emi c, New York , 1970. 108. C . Sagui a nd T . A. Darden , Molecul ar dyn amics simula t ions of biomolecul es: lon g-r an ge elect rostatic effects. Annu. Rev . Biophys. Biomol. Struct . 28 ,155179 (1999) . 109. T . Schli ck and W . Olson , Supercoiled DNA energet ics and dyn amics by computer simula tion . J. Mol . Bi oI. 223 , 1089-1119 (1992) . 110. R. Samudrala and M. Levit t , Decoys 'R ' Us: A database of incor rect conformation s t o improve protein struct ure pr edic tion.

R. Samudrala and M. Levit t , Decoys 'R ' Us: A database of incor rect conformation s t o improve protein struct ure pr edic tion. Protein S ci. 9, 1399-1401 (2000) . 111. M. Vasquez, G . Nem ethy, and H. A. Scheraga, Conform ation al energy calculations on polyp eptides and proteins. Chern. Rev. 94 , 2183-22 39 (1994). 112. A. Abbott , Computer modellers seek out 'Ten Most Wanted ' protein s. Nature 409 , 4 (2001). Part I Biomolecular Dynamics Applications Mathematics and Molecular Neurobiology Nathan A.

These assumpt ions allow us to st udy much larg er pr ot eins and t o explore a wid e variety of pro cesses such as the kinet ics of protein-protein associati on [21-27]. The basis of BD simulat ions is the Ermak-McCammon equa t ion [28] R(t + L1t) = R(t) DL1t + -k-F + 5 BT (6) where D is the diffusion constant, k» is the Boltzmann constant and T is the temperat ure . In t his equation, t he position of the protein R(t) cha nges du e to forces and torque between the proteins (F ) and st ochas t ic interactions with t he solvent (5) .

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Computational Methods for Macromolecules: Challenges and Applications: Proceedings of the 3rd International Workshop on Algorithms for Macromolecular Modeling, New York, October 12–14, 2000 by Hin Hark Gan, Tamar Schlick (auth.), Tamar Schlick, Hin Hark Gan (eds.)


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