Algorithmic challenges in computational molecular biophysics
From MaRDI portal
Publication:1305945
DOI10.1006/jcph.1998.6182zbMath0935.92008MaRDI QIDQ1305945
Robert D. Skeel, Tamar Schlick, Klaus Schulten, John A. jun. Board, Axel T. Brunger, Laxmikant V. Kalé, Jan Hermans
Publication date: 4 May 2000
Published in: Journal of Computational Physics (Search for Journal in Brave)
Full work available at URL: https://semanticscholar.org/paper/033fb232e4c042da3437a656893e10e7b1059c42
molecular dynamics; long-time integration; biomolecular simulations; crystallographic refinement; fast electrostatics; high-performance platforms
92C05: Biophysics
92-08: Computational methods for problems pertaining to biology
65Y99: Computer aspects of numerical algorithms
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Uses Software
Cites Work
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