Computation of Biomolecular Structures: Achievements, Problems, and Perspectives - Softcover

 
9783642778001: Computation of Biomolecular Structures: Achievements, Problems, and Perspectives
Softcover
ISBN 10: 3642778003 ISBN 13: 9783642778001
Verlag: Springer, 2011

Inhaltsangabe

Computational techniques have become an indispensable part of Molecular Biology, Biochemistry, and Molecular Design. In conjunction with refined experimental methods and powerful hardware, they enable us to analyze and visualize biomolecular structures, simulate their motions and to a variable degree understand their physicochemical properties and function. In addition, they provide essentially the only way to analyze and correlate the astronomical amounts of experimental sequence and structural data accumulating in international databases. We have good reasons to believe that further advances in this area will eventually enable us to predict with sufficient accuracy many structural and functional properties of fairly large biomolecules, given their sequence and specified environmental conditions. However, it is also important to realize that in achieving this goal, we encounter several serious problems of conceptual and methodological nature, the solution of which requires new approaches and algorithms. For example, we need better force fields, more efficient optimization routines, an adequate description of electrostatics and hydration, reliable methods to compute free energies, and ways to extent the length of molecular dynamics simulations by several orders of magnitude.

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Reseña del editor

Computational techniques have become an indispensable part of Molecular Biology, Biochemistry, and Molecular Design. In conjunction with refined experimental methods and powerful hardware, they enable us to analyze and visualize biomolecular structures, simulate their motions and to a variable degree understand their physicochemical properties and function. In addition, they provide essentially the only way to analyze and correlate the astronomical amounts of experimental sequence and structural data accumulating in international databases. We have good reasons to believe that further advances in this area will eventually enable us to predict with sufficient accuracy many structural and functional properties of fairly large biomolecules, given their sequence and specified environmental conditions. However, it is also important to realize that in achieving this goal, we encounter several serious problems of conceptual and methodological nature, the solution of which requires new approaches and algorithms. For example, we need better force fields, more efficient optimization routines, an adequate description of electrostatics and hydration, reliable methods to compute free energies, and ways to extent the length of molecular dynamics simulations by several orders of magnitude.

Reseña del editor

The material in the book covers a deliberately wide range of topics concerning the study and modelling of biomolecules (DNA, RNA, Proteins) using computer techniques. Methods for structure determination and predictions, the analysis of structure-sequence databases and the computer based design of molecules are presented along with approaches for modeling the dynamic behavior of biomolecules and treating complex solvent effects on their structure in solution. Several specific system applications illustrate what can be presently achieved. The reader can obtain a good feeling of what is happening in a very active research area at the intersection of molecular biology, physical chemistry and computer science, and obtain valuable information not otherwise easily accessible due to its very diversified interdisciplinary character.

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Verlag
Springer
Erscheinungsdatum
2011
Sprache
Englisch
ISBN 10 
3642778003
ISBN 13 
9783642778001
Einband
Tapa blanda
Anzahl der Seiten
264
Herausgeber
Soumpasis Dikeos M., Jovin Thomas M.
Kontakt zum Hersteller
ProductSafety@springernature.com
ProductSafety@springernature.com

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Heidelberg
69121
Deutschland

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