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Molecular Simulation Volume 14, 1994 - Issue 1
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Original Articles

Molecular Dynamics Simulations With First Order Coupling to a Bath of Constant Chemical Potential

Thomas C. Beutler Laboratorium für Physikalische Chemie ETH Zentrum CH-8092, Zürich, Switzerland E-mail: [email protected]@igc.ethz.ch
&
Wilfred F. Van Gunsteren Laboratorium für Physikalische Chemie ETH Zentrum CH-8092, Zürich, Switzerland E-mail: [email protected]@igc.ethz.ch
Pages 21-34 | Received 01 Jul 1994, Accepted 01 Jul 1994, Published online: 23 Sep 2006

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Priyanka Borah, Airy Sanjeev & Venkata Satish Kumar Mattaparthi. (2021) Computational investigation on the effect of Oleuropein aglycone on the α-synuclein aggregation. Journal of Biomolecular Structure and Dynamics 39:4, pages 1259-1270.
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Sushmita Pradhan, Himakshi Sarma & Venkata Satish Kumar Mattaparthi. (2019) Investigation of the probable homo-dimer model of the Xeroderma pigmentosum complementation group A (XPA) protein to represent the DNA-binding core. Journal of Biomolecular Structure and Dynamics 37:13, pages 3322-3336.
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Articles from other publishers (6)

Hossein Eslami, Fatemeh Mojahedi & Jalil Moghadasi. (2010) Molecular dynamics simulation with weak coupling to heat and material baths. The Journal of Chemical Physics 133:8.
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Martin Lísal, William R. Smith & Jiří Kolafa. (2005) Molecular Simulations of Aqueous Electrolyte Solubility:  1. The Expanded-Ensemble Osmotic Molecular Dynamics Method for the Solution Phase. The Journal of Physical Chemistry B 109:26, pages 12956-12965.
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Aidan P. Thompson, David M. Ford & Grant S. Heffelfinger. (1998) Direct molecular simulation of gradient-driven diffusion. The Journal of Chemical Physics 109:15, pages 6406-6414.
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Alain P. Nanzer, Thomas Huber, Andrew E. Torda & Wilfred F. van Gunsteren. (1996) Molecular dynamics simulation using weak-coupling NOE distance restraining. Journal of Biomolecular NMR 8:3, pages 285-291.
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H. Resat, M. Mezei & J. A. McCammon. (1996) Use of the Grand Canonical Ensemble in Potential of Mean Force Calculations. The Journal of Physical Chemistry 100:4, pages 1426-1433.
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W.F. van Gunsteren, P.H. Hünenberger, A.E. Mark, P.E. Smith & I.G. Tironi. (1995) Computer simulation of protein motion. Computer Physics Communications 91:1-3, pages 305-319.
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