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New algorithms for macromolecular simulation. Selected papers based on the presentation at 4th international symposium, Leicester, UK, August 18–21, 2004. (English) Zbl 1084.81003

Lecture Notes in Computational Science and Engineering 49. Berlin: Springer (ISBN 3-540-25542-7/pbk; 978-3-540-31618-3/ebook). xvi, 362 p. (2006).

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The articles of this volume will be reviewed individually
Indexed articles:
Joachims, Thorsten; Galor, Tamara; Elber, Ron, Learning to align sequences: a maximum-margin approach, 57-69 [Zbl 1106.68095]
Wales, David J.; Carr, Joanne M.; James, Tim, Overcoming energetic and time scale barriers using the potential energy surface, 73-87 [Zbl 1207.82029]
Hampton, Scott S.; Brenner, Paul; Wenger, Aaron; Chatterjee, Santanu; Izaguirre, Jesús A., Biomolecular sampling: algorithms, test molecules, and metrics, 103-123 [Zbl 1094.92006]
Barth, Eric; Leimkuhler, Ben; Sweet, Chris, Approach to thermal equilibrium in biomolecular simulation, 125-140 [Zbl 1094.92004]
Akhmatskaya, Elena; Reich, Sebastian, The targeted shadowing hybrid Monte Carlo (TSHMC) method, 141-153 [Zbl 1207.81200]
Akkermans, Reinier L. C., The Langevin equation for generalized coordinates, 155-165 [Zbl 1207.82035]
Huisinga, Wilhelm; Schmidt, Bernd, Metastability and dominant eigenvalues of transfer operators, 167-182 [Zbl 1207.82021]
Chipot, Christophe, Free energy calculations in biological systems. How useful are they in practice?, 185-211 [Zbl 1094.92005]
Darve, Eric, Numerical methods for calculating the potential of mean force, 213-249 [Zbl 1207.82028]
Tu, Yaoquan; Laaksonen, Aatto, Towards fast and reliable quantum chemical modelling of macromolecules, 315-341 [Zbl 1207.81202]

MSC:

81-06 Proceedings, conferences, collections, etc. pertaining to quantum theory
82-06 Proceedings, conferences, collections, etc. pertaining to statistical mechanics
92-06 Proceedings, conferences, collections, etc. pertaining to biology
00B25 Proceedings of conferences of miscellaneous specific interest
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