CiteULike: softsimu's van Gunsteren:WF [11 articles]

An NMR-based molecular dynamics simulation of the interaction of the <I>lac</I> repressor headpiece and its operator in aqueous solution

Proteins: Structure, Function, and Genetics, Vol. 6, No. 2. (1989), pp. 104-127.

by J. de Vlieg, H. J. C. Berendsen, W. F. van Gunsteren

posted to twin-range-cutoff by softsimu on 2009-10-14 21:34:38 as

A strategy for analysis of (molecular) equilibrium simulations: Configuration space density estimation, clustering, and visualization

The Journal of Chemical Physics, Vol. 114, No. 5. (2001), pp. 2079-2089.

by Fred A. Hamprecht, Christine Peter, Xavier Daura, Walter Thiel, Wilfred F. van Gunsteren

posted to coarse-graining by softsimu on 2008-03-18 19:02:32 as

The performance of non-polarizable and polarizable force-field parameter sets for ethylene glycol in molecular dynamics simulations of the pure liquid and its aqueous mixtures

Molecular Physics: An International Journal at the Interface Between Chemistry and Physics, Vol. 105, No. 13. (2007), pp. 1861-1881.

by D. P. Geerke, W. F. van Gunsteren

posted to force-fields polarizability by softsimu on 2007-12-18 16:59:24 as

Comparison of Atomic-Level and Coarse-Grained Models for Liquid Hydrocarbons from Molecular Dynamics Configurational Entropy Estimates

J. Phys. Chem. B, Vol. 110, No. 16. (2006), pp. 8464-8473.

by Riccardo Baron, Alex H. de Vries, Philippe H. Hünenberger, Wilfred F. van Gunsteren

posted to no-tag by softsimu on 2007-12-12 01:33:24 as read

Interaction models for water in relation to protein hydration

In Intermolecular Forces (1981), pp. 331-342.

by H. J. C. Berendsen, J. P. M. Postma, W. F. van Gunsteren, J. Hermans

edited by B. Pullman

posted to bibtex-import by softsimu on 2007-12-11 21:31:57 as read

Consistent dielectric properties of the simple point charge and extended simple point charge water models at 277 and 300 K

J. Chem. Phys., Vol. 100 (1994), pp. 3169-3174.

by Paul E. Smith, Wilfred F. van Gunsteren

posted to bibtex-import by softsimu on 2007-12-11 21:31:57 as read

The GROMOS96 benchmarks for molecular simulation

Comp. Phys. Comm., Vol. 128 (2000), pp. 550-557.

by A. M. J. J. Bonvin, A. E. Mark, W. F. van Gunsteren

posted to bibtex-import by softsimu on 2007-12-11 21:31:54 as read

GROMOS Library manual

(1987)

by W. F. van Gunsteren, H. J. C. Berendsen

posted to bibtex-import by softsimu on 2007-12-11 21:31:37 as read

A force field for liquid dimethyl sulfoxide and physical properties of liquid dimethyl sulfoxide calculated using molecular dynamics simulation

J. Am. Chem. Soc., Vol. 117 (1995)

by H. Liu, Müller F. Plathe, W. F. van Gunsteren

posted to bibtex-import fields force by softsimu on 2007-12-11 21:31:34 as read

Molecular dynamics with coupling to an external bath

J. Chem. Phys., Vol. 81 (1984), pp. 3684-3690.

by H. J. C. Berendsen, J. P. M. Postma, W. F. van Gunsteren, A. Dinola, J. R. Haak

posted to bibtex-import thermostat by softsimu on 2007-12-11 21:31:31 as read

Algorithms for Brownian dynamics

Mol. Phys., Vol. 45 (1982), pp. 637-647.

by W. F. van Gunsteren, Berendsen

posted to bibtex-import brownian-dynamics by softsimu on 2007-12-11 20:58:46 as read

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	An NMR-based molecular dynamics simulation of the interaction of the <I>lac</I> repressor headpiece and its operator in aqueous solution [My Copy] Proteins: Structure, Function, and Genetics, Vol. 6, No. 2. (1989), pp. 104-127. by J. de Vlieg, H. J. C. Berendsen, W. F. van Gunsteren posted to twin-range-cutoff by softsimu on 2009-10-14 21:34:38 as
	A strategy for analysis of (molecular) equilibrium simulations: Configuration space density estimation, clustering, and visualization [My Copy] The Journal of Chemical Physics, Vol. 114, No. 5. (2001), pp. 2079-2089. by Fred A. Hamprecht, Christine Peter, Xavier Daura, Walter Thiel, Wilfred F. van Gunsteren posted to coarse-graining by softsimu on 2008-03-18 19:02:32 as
	The performance of non-polarizable and polarizable force-field parameter sets for ethylene glycol in molecular dynamics simulations of the pure liquid and its aqueous mixtures [My Copy] Molecular Physics: An International Journal at the Interface Between Chemistry and Physics, Vol. 105, No. 13. (2007), pp. 1861-1881. by D. P. Geerke, W. F. van Gunsteren posted to force-fields polarizability by softsimu on 2007-12-18 16:59:24 as
	Comparison of Atomic-Level and Coarse-Grained Models for Liquid Hydrocarbons from Molecular Dynamics Configurational Entropy Estimates [My Copy] J. Phys. Chem. B, Vol. 110, No. 16. (2006), pp. 8464-8473. by Riccardo Baron, Alex H. de Vries, Philippe H. Hünenberger, Wilfred F. van Gunsteren posted to no-tag by softsimu on 2007-12-12 01:33:24 as
	Interaction models for water in relation to protein hydration [My Copy] In Intermolecular Forces (1981), pp. 331-342. by H. J. C. Berendsen, J. P. M. Postma, W. F. van Gunsteren, J. Hermans edited by B. Pullman posted to bibtex-import by softsimu on 2007-12-11 21:31:57 as
	Consistent dielectric properties of the simple point charge and extended simple point charge water models at 277 and 300 K [My Copy] J. Chem. Phys., Vol. 100 (1994), pp. 3169-3174. by Paul E. Smith, Wilfred F. van Gunsteren posted to bibtex-import by softsimu on 2007-12-11 21:31:57 as
	The GROMOS96 benchmarks for molecular simulation [My Copy] Comp. Phys. Comm., Vol. 128 (2000), pp. 550-557. by A. M. J. J. Bonvin, A. E. Mark, W. F. van Gunsteren posted to bibtex-import by softsimu on 2007-12-11 21:31:54 as
	GROMOS Library manual [My Copy] (1987) by W. F. van Gunsteren, H. J. C. Berendsen posted to bibtex-import by softsimu on 2007-12-11 21:31:37 as
	A force field for liquid dimethyl sulfoxide and physical properties of liquid dimethyl sulfoxide calculated using molecular dynamics simulation [My Copy] J. Am. Chem. Soc., Vol. 117 (1995) by H. Liu, Müller F. Plathe, W. F. van Gunsteren posted to bibtex-import fields force by softsimu on 2007-12-11 21:31:34 as
	Molecular dynamics with coupling to an external bath [My Copy] J. Chem. Phys., Vol. 81 (1984), pp. 3684-3690. by H. J. C. Berendsen, J. P. M. Postma, W. F. van Gunsteren, A. Dinola, J. R. Haak posted to bibtex-import thermostat by softsimu on 2007-12-11 21:31:31 as
	Algorithms for Brownian dynamics [My Copy] Mol. Phys., Vol. 45 (1982), pp. 637-647. by W. F. van Gunsteren, Berendsen posted to bibtex-import brownian-dynamics by softsimu on 2007-12-11 20:58:46 as

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