Protonation States of Methionine Aminopeptidase Studied by QM/MM Car-Parrinello Molecular Dynamics Simulations
Methionine aminopeptidases (MetAPs) play a central role for in vivo protein synthesis as they remove the starter methionine from newly synthetized proteins. MetAPs are metaldependent enzymes. It is not clear which metal activates the MetAPs in vivo. For i
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Springer Berlin Heidelberg New York Hong Kong London Milan Paris Tokyo
Egon Krause . Willi Jager . Michael Resch Editors
High Performance Computing in Science and Engineering '03 Transactions of the High Performance Computing Center Stuttgart (HLRS) 2003
With 233 Figures, 121 in Color, and 41 Tables
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Springer
Editors Egon Krause Aerodynamisches Institut der RWTH Aachen WuellnerstraBe zw. 5 u. 7 52062 Aachen, Germany e-mail: [email protected]
Willi Jager Institut fUr Wissenschaftliches Rechnen Universitat Heidelberg 1m Neuenheimer Feld 368 69120 Heidelberg, Germany e-mail: [email protected]
Michael Resch High Performance Computing Center Stuttgart - HLRS Allmandring 30 70550 Stuttgart, Germany e-mail: [email protected]
Cataloging-in-Publication Data applied for A catalog record for this book is available from the Library of Congress. Bibliographic information published by Die Deutsche Bibliothek Die Deutsche Bibliothek lists this publication in the Deutsche Nationalbibliografie; detailed bibliographic data is available in the Internet at .
Front cover figure: Simulated temperature increase for Central Europe caused by a doubling of global greenhouse gas concentrations (Lehrstuhl fUr Umweltmeteorologie, Brandenburgische Technische Universitat, Cottbus). Mathematics Subject Classification (2000): 65Cxx, 65C99, 68U20 ISBN 3-540-40850-9 Springer-Verlag Berlin Heidelberg New York This work is subject to copyright. All rights are reserved, whether the whole or part of the material is concerned, specifically the rights of translation, reprinting, reuse of illustrations, recitation, broadcasting, reproduction on microfilm or in any other way, and storage in data banks. Duplication of this publication or parts thereof is permitted only under the provisions of the German Copyright Law of September 9, 1965, in its current version, and permission for use must always be obtained from Springer-Verlag. Violations are liable for prosecution under the German Copyright Law. Springer-Verlag is a part of Springer Science+Business Media springeronline.com © Springer-Verlag Berlin Heidelberg 2003 The use of general descriptive names, registered names, trademarks, etc. in this publication does not imply, even in the absence of a specific statement, that such names are exempt from the relevant protective laws and regulations and therefore free for general use. Typeset by the authors. Edited by Kurt Mattes, Heidelberg. Cover design: design & production GmbH, Heidelberg 46/3142/LK - 543210
Preface
Prof. Dr. Egon Krause Aerodynamisches Institut RWTH Aachen Wullnerstr. zw. 5 u. 7, D-52062 Aachen Prof. Dr. Willi Jager Interdisziplinares Zentrum fur Wissenschaftliches Rechnen Universitat Heidelberg 1m Neuenheimer Feld 368, D-69120 Heidelberg Prof. Dr. Michael Resch Hi::ichstleistungsrechenzentrum Stuttgart Allmandring 30, D-70550 Stuttgart The High-Performance Computing Center Stuttgart (HLRS) underwent dramatic changes during the last year. At the beginning of 2003 the Center was separated from the Computing Center of