Desmond - Revision history

Carl McBride: Changed internal link

2015-11-22T11:27:05Z

Changed internal link

← Older revision		Revision as of 13:27, 22 November 2015
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	<ref>[http://dx.doi.org/10.1145/1188455.1188544 Kevin J. Bowers, Edmond Chow, Huafeng Xu, Ron O. Dror, Michael P. Eastwood, Brent A. Gregersen, John L. Klepeis, Istvan Kolossvary, Mark A. Moraes, Federico D. Sacerdoti, John K. Salmon, Yibing Shan, David E. Shaw "Scalable algorithms for molecular dynamics simulations on commodity clusters", Proceedings of the 2006 ACM/IEEE conference on Supercomputing Article No.: 84 November 11-17 (2006)]</ref>		<ref>[http://dx.doi.org/10.1145/1188455.1188544 Kevin J. Bowers, Edmond Chow, Huafeng Xu, Ron O. Dror, Michael P. Eastwood, Brent A. Gregersen, John L. Klepeis, Istvan Kolossvary, Mark A. Moraes, Federico D. Sacerdoti, John K. Salmon, Yibing Shan, David E. Shaw "Scalable algorithms for molecular dynamics simulations on commodity clusters", Proceedings of the 2006 ACM/IEEE conference on Supercomputing Article No.: 84 November 11-17 (2006)]</ref>
	High-performance [[molecular dynamics]] simulations for biomolecular systems.		High-performance [[molecular dynamics]] simulations for biomolecular systems.
	Has [[CHARMM]], [[AMBER]], and [[OPLS]] [[force fields]].		Has [[CHARMM]], [[AMBER forcefield \| AMBER]], and [[OPLS]] [[force fields]].
	==References==		==References==
	<references/>		<references/>

Carl McBride: /* External links */ Added a second link to the code

2015-11-22T11:24:35Z

External links: Added a second link to the code

← Older revision		Revision as of 13:24, 22 November 2015
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	==External links==		==External links==
	*[http://www.schrodinger.com/Desmond Desmond home page]		*[http://www.schrodinger.com/Desmond Desmond home page]
			*[http://www.deshawresearch.com/resources_desmond.html Desmond at D. E. Shaw Research]
	[[Category: Materials modelling and computer simulation codes]]		[[Category: Materials modelling and computer simulation codes]]

Carl McBride: Added references

2015-11-22T11:18:20Z

Added references

← Older revision		Revision as of 13:18, 22 November 2015
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	'''Desmond'''		'''Desmond''' <ref>[http://dx.doi.org/10.1021/ct900587b Devleena Shivakumar, Joshua Williams, Yujie Wu, Wolfgang Damm, John Shelley and Woody Sherman "Prediction of Absolute Solvation Free Energies using Molecular Dynamics Free Energy Perturbation and the OPLS Force Field", Journal of Chemical Theory and Computation '''6''' pp. 1509-1519 (2010)]</ref>
			<ref>[http://dx.doi.org/10.1111/j.1747-0285.2010.00951.x Zuojun Guo, Udayan Mohanty, Justin Noehre, Tomi K. Sawyer, Woody Sherman and Goran Krilov "Probing the α-Helical Structural Stability of Stapled p53 Peptides: Molecular Dynamics Simulations and Analysis", Chemical Biology & Drug Design '''75''' pp. 348-359 (2010)]</ref>
			<ref>[http://dx.doi.org/10.1145/1188455.1188544 Kevin J. Bowers, Edmond Chow, Huafeng Xu, Ron O. Dror, Michael P. Eastwood, Brent A. Gregersen, John L. Klepeis, Istvan Kolossvary, Mark A. Moraes, Federico D. Sacerdoti, John K. Salmon, Yibing Shan, David E. Shaw "Scalable algorithms for molecular dynamics simulations on commodity clusters", Proceedings of the 2006 ACM/IEEE conference on Supercomputing Article No.: 84 November 11-17 (2006)]</ref>
	High-performance [[molecular dynamics]] simulations for biomolecular systems.		High-performance [[molecular dynamics]] simulations for biomolecular systems.
	Has [[CHARMM]], [[AMBER]], and [[OPLS]] [[force fields]].		Has [[CHARMM]], [[AMBER]], and [[OPLS]] [[force fields]].

Carl McBride: tmp save

2015-11-22T10:35:46Z

tmp save

New page

'''Desmond'''
High-performance [[molecular dynamics]] simulations for biomolecular systems.
Has [[CHARMM]], [[AMBER]], and [[OPLS]] [[force fields]].
==References==
<references/>
==External links==
*[http://www.schrodinger.com/Desmond Desmond home page]
[[Category: Materials modelling and computer simulation codes]]