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Modeling Protein Interactions.

Record Type:	Electronic resources : Monograph/item
Title/Author:	Modeling Protein Interactions./
Author:	Padhorny, Dzmitry.
Published:	Ann Arbor : ProQuest Dissertations & Theses, : 2020,
Description:	72 p.
Notes:	Source: Dissertations Abstracts International, Volume: 82-06, Section: B.
Contained By:	Dissertations Abstracts International82-06B.
Subject:	Applied mathematics. -
Online resource:	http://pqdd.sinica.edu.tw/twdaoapp/servlet/advanced?query=28090963
ISBN:	9798684655302

Modeling Protein Interactions.
Padhorny, Dzmitry.

Modeling Protein Interactions. - Ann Arbor : ProQuest Dissertations & Theses, 2020 - 72 p.

Source: Dissertations Abstracts International, Volume: 82-06, Section: B.

Thesis (Ph.D.)--State University of New York at Stony Brook, 2020.

This item must not be sold to any third party vendors.

Protein interactions are involved in every biological process in a living cell, and understanding these interactions in atomic detail is of utmost importance. However, observing physical matter at the relevant scales is very challenging experimentally, especially when the dynamic aspect of the molecular system becomes the point of interest. Molecular simulation constitutes an important alternative to experiment, but comes with it's own set of limitations, arising from the high computational complexity of the problem. In most cases it is the energy evaluation that takes the most of the computational effort.In this work, we present highly efficient computational techniques for energy evaluation in both binary and multi-protein systems by adapting the ideas from the field of image processing. The resulting tools allow us to perform fast exhaustive sampling of conformational space for binary systems, and simulate multi-protein systems involving dozens of particles in unprecedented detail.

ISBN: 9798684655302Subjects--Topical Terms:

2122814
Applied mathematics.
Subjects--Index Terms:

Fast Fourier transform

Modeling Protein Interactions.
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100 1 $a Padhorny, Dzmitry. $3 3686257
245 1 0 $a Modeling Protein Interactions.
260 1 $a Ann Arbor : $b ProQuest Dissertations & Theses, $c 2020
300 $a 72 p.
500 $a Source: Dissertations Abstracts International, Volume: 82-06, Section: B.
500 $a Advisor: Kozakov, Dima.
502 $a Thesis (Ph.D.)--State University of New York at Stony Brook, 2020.
506 $a This item must not be sold to any third party vendors.
520 $a Protein interactions are involved in every biological process in a living cell, and understanding these interactions in atomic detail is of utmost importance. However, observing physical matter at the relevant scales is very challenging experimentally, especially when the dynamic aspect of the molecular system becomes the point of interest. Molecular simulation constitutes an important alternative to experiment, but comes with it's own set of limitations, arising from the high computational complexity of the problem. In most cases it is the energy evaluation that takes the most of the computational effort.In this work, we present highly efficient computational techniques for energy evaluation in both binary and multi-protein systems by adapting the ideas from the field of image processing. The resulting tools allow us to perform fast exhaustive sampling of conformational space for binary systems, and simulate multi-protein systems involving dozens of particles in unprecedented detail.
590 $a School code: 0771.
650 4 $a Applied mathematics. $3 2122814
650 4 $a Biophysics. $3 518360
653 $a Fast Fourier transform
653 $a Protein interactions
653 $a Wavelet compression
690 $a 0364
690 $a 0786
710 2 $a State University of New York at Stony Brook. $b Applied Mathematics and Statistics. $3 1684041
773 0 $t Dissertations Abstracts International $g 82-06B.
790 $a 0771
791 $a Ph.D.
792 $a 2020
793 $a English
856 4 0 $u http://pqdd.sinica.edu.tw/twdaoapp/servlet/advanced?query=28090963