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	GROMACS 4: Algorithms for Highly Efficient, Load-Balanced, and Scalable Molecular Simulation [My Copy] Journal of Chemical Theory and Computation, Vol. 4, No. 3. (1 March 2008), pp. 435-447. by Berk Hess, Carsten Kutzner, David van der Spoel, Erik Lindahl posted to md computing by mikaellund on 2009-12-09 00:31:34 as along with 24 people and 2 groups sunnytov softsimu parnell rabio oteri krapnik robertvacha rodrigofaccioli pavanghatty janneb ZhangYinhe okapi flbarroso marceavi A_Coletta_Thesis choonpeng Lombardo_7 jwm daevans mmuecke sobolevnrm r2s2 middledomain loison Structural Biology Group TorVergata baker-group
	Partial enthalpies and related quantities in mixtures from computer simulation [My Copy] Chemical Physics Letters, Vol. 136, No. 1. (24 April 1987), pp. 35-41. by P. Sindzingre posted to computing monte-carlo by mikaellund on 2009-07-27 15:40:09 as
	Computation of partial enthalpies of various Lennard-Jones model mixtures by NPT molecular dynamics [My Copy] Journal of Physics: Condensed Matter, Vol. 1, No. 5. (1989), pp. 957-963. by R. Vogelsang, C. Hoheisel, P. Sindzingre, G. Ciccotti, D. Frenkel posted to computing monte-carlo by mikaellund on 2009-07-27 15:36:34 as
	Gaussian 03, Revision C.02 [My Copy] (2003) by M. J. Frisch, G. W. Trucks, H. B. Schlegel, et al.G. E. Scuseria, M. A. Robb, J. R. Cheeseman, J. A. Montgomery, T. Vreven, K. N. Kudin, J. C. Burant, J. M. Millam, S. S. Iyengar, J. Tomasi, V. Barone, B. Mennucci, M. Cossi, G. Scalmani, N. Rega, G. A. Petersson, H. Nakatsuji, M. Hada, M. Ehara, K. Toyota, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, M. Klene, X. Li, J. E. Knox, H. P. Hratchian, J. B. Cross, V. Bakken, C. Adamo, J. Jaramillo, R. Gomperts, R. E. Stratmann, O. Yazyev, A. J. Austin, R. Cammi, C. Pomelli, J. W. Ochterski, P. Y. Ayala, K. Morokuma, G. A. Voth, P. Salvador, J. J. Dannenberg, V. G. Zakrzewski, S. Dapprich, A. D. Daniels, M. C. Strain, O. Farkas, D. K. Malick, A. D. Rabuck, K. Raghavachari, J. B. Foresman, J. V. Ortiz, Q. Cui, A. G. Baboul, S. Clifford, J. Cioslowski, B. B. Stefanov, G. Liu, A. Liashenko, P. Piskorz, I. Komaromi, R. L. Martin, D. J. Fox, T. Keith, Al M. A. Laham, C. Y. Peng, A. Nanayakkara, M. Challacombe, P. M. W. Gill, B. Johnson, W. Chen, M. W. Wong, C. Gonzalez, J. A. Pople posted to ab-initio computing by mikaellund on 2009-06-29 09:46:48 as
	Settle: An analytical version of the SHAKE and RATTLE algorithm for rigid water models [My Copy] J. Comp. Chem., Vol. 13, No. 8. (1992), pp. 952-962. by Shuichi Miyamoto, Peter A. Kollman posted to computing md by mikaellund on 2009-06-29 09:03:32 as
	The missing term in effective pair potentials [My Copy] J. Phys. Chem., Vol. 91, No. 24. (1987), pp. 6269-6271. by H. J. C. Berendsen, J. R. Grigera, T. P. Straatsma posted to computing by mikaellund on 2009-06-29 09:03:32 as
	GROMACS 4: Algorithms for Highly Efficient, Load-Balanced, and Scalable Molecular Simulation [My Copy] J. Chem. Theory Comput., Vol. 4, No. 3. (2008), pp. 435-447. by Berk Hess, Carsten Kutzner, David van der Spoel, Erik Lindahl posted to computing by mikaellund on 2009-06-29 09:03:32 as
	Rational design of ion force fields based on thermodynamic solvation properties [My Copy] The Journal of Chemical Physics, Vol. 130, No. 12. (2009), 124507. by Dominik Horinek, Shavkat I. Mamatkulov, Roland R. Netz posted to computing md solvation by mikaellund on 2009-05-25 13:30:12 as along with 1 person and 1 group sobolevnrm baker-group
	Lattice sum calculations for 1/rp interactions via multipole expansions and Euler summation [My Copy] J. Comp. Chem., Vol. 22, No. 2. (2001), pp. 208-215. by D. Steiger, R. Glaser posted to computing multipole by mikaellund on 2009-05-15 12:00:39 as
	Computations of Standard Binding Free Energies with Molecular Dynamics Simulations [My Copy] The Journal of Physical Chemistry B, Vol. 113, No. 8. (26 February 2009), pp. 2234-2246. by Yuqing Deng, Benoît Roux posted to computing by mikaellund on 2009-04-19 19:17:17 as along with 10 people and 2 groups loison anuragsethi flbarroso sobolevnrm barry jmccammon willard agrossfield carlosjavierna ibuch baker-group McCammon
	Order N algorithm for computation of electrostatic interactions in biomolecular systems [My Copy] Proc. Natl. Acad. Sci. US., Vol. 103 (2006), pp. 19314-9. by B. Lu, X. Cheng, Jingfang Huang, Andrew J. Mccammon posted to computing by mikaellund on 2009-04-19 16:23:14 as
	Widom's method for uniform and non-uniform electrolyte solutions [My Copy] Molecular Physics: An International Journal at the Interface Between Chemistry and Physics, Vol. 64, No. 2. (1988), pp. 247-259. by Bo R. Svensson, Clifford E. Woodward posted to computing electrostatic by mikaellund on 2008-10-15 13:51:13 as along with 1 person flbarroso
	Some Topics in the Theory of Fluids [My Copy] The Journal of Chemical Physics, Vol. 39, No. 11. (1963), pp. 2808-2812. by B. Widom posted to computing statmek by mikaellund on 2008-10-14 13:59:54 as along with 2 people zhaidong flbarroso
	The Amber biomolecular simulation programs. [My Copy] Journal of computational chemistry, Vol. 26, No. 16. (December 2005), pp. 1668-1688. by David A. Case, Thomas E. Cheatham, Tom Darden, et al.Holger Gohlke, Ray Luo, Kenneth M. Merz, Alexey Onufriev, Carlos Simmerling, Bing Wang, Robert J. Woods posted to computing md by mikaellund on 2008-07-30 16:21:11 as along with 18 people and 3 groups krapnik csrocha nickolay mmuecke flbarroso charris5 pavanghatty tahereh62 lna jwm ttjoseph xdeupi tovrstra bilab RamuAnandakrishnan IrinaMoreira adilson_mohr gisle Radiation_Damage Stressosome LabCompMed
	A molecular dynamics study of polarizable water [My Copy] Molecular Physics, Vol. 68, No. 3. (1989), pp. 563-581. by Peter Ahlström, Anders Wallqvist, Sven Engström, Bo Jönsson posted to computing forcefield md by mikaellund on 2008-06-24 14:45:09 as
	Computational Study of Ion Binding to the Liquid Interface of Water [My Copy] J. Phys. Chem. B, Vol. 106, No. 40. (10 October 2002), pp. 10388-10394. by L. X. Dang posted to computing forcefield by mikaellund on 2008-06-09 17:02:29 as
	Detailed Study of Potassium Solvation Using Molecular Dynamics Techniques [My Copy] J. Phys. Chem. B, Vol. 103, No. 22. (3 June 1999), pp. 4714-4720. by T. M. Chang, L. X. Dang posted to computing forcefield by mikaellund on 2008-06-09 17:01:25 as
	How well does a restrained electrostatic potential(RESP) model perform in calculating conformational energies of organic and biological molecules? [My Copy] J. Comp. Chem., Vol. 21, No. 12. (2000), pp. 1049-1074. by J. Wang, P. Cieplak, P. A. Kollman posted to computing by mikaellund on 2008-05-02 12:47:44 as along with 1 person charris5
	Amber 9 [My Copy] (2006) by D. A. Case, T. A. Darden, Cheatham, et al.C. L. Simmerling, J. Wang, R. E. Duke, R. Luo, K. M. Merz, D. A. Pearlman, M. Crowley, R. C. Walker, W. Zhang, B. Wang, S. Hayik, A. Roitberg, G. Seabra, K. F. Wong, F. Paesani, X. Wu, S. Brozell, V. Tsui, H. Gohlke, L. Yang, C. Tan, J. Mongan, V. Hornak, G. Cui, P. Beroza, D. H. Mathews, C. Schafmeister, W. S. Ross, P. A. Kollman posted to computing by mikaellund on 2008-04-29 15:46:11 as along with 1 person charris5
	Structure and Properties of Neat Liquids Using Nonadditive Molecular Dynamics: Water, Methanol, and N-Methylacetamide [My Copy] Journal of Physical Chemistry, Vol. 99, No. 16. (1995), pp. 6208-6219. by James W. Caldwell, Peter A. Kollman posted to computing by mikaellund on 2008-04-29 15:19:38 as
	A smooth particle mesh Ewald method [My Copy] The Journal of Chemical Physics, Vol. 103, No. 19. (1995), pp. 8577-8593. by Ulrich Essmann, Lalith Perera, Max L. Berkowitz, Tom Darden, Hsing Lee, Lee G. Pedersen posted to computing electrostatic by mikaellund on 2008-04-29 15:14:58 as along with 16 people and 2 groups krapnik jmparks rpetrenko A_Coletta_Thesis r2s2 charris5 pavanghatty sobolevnrm choonpeng lillekatt and_ped10 easybakemuffin RamuAnandakrishnan ashaytan 6rheology jteyra Structural Biology Group TorVergata baker-group
	Faunus: An object oriented framework for molecular simulation. [My Copy] Source Code Biol. Med., Vol. 3, No. 1. (1 February 2008), pp. 1-8. by M. Lund, M. Trulsson, B. Persson posted to computing himself by mikaellund on 2008-02-06 11:06:54 as along with 3 people flbarroso OndrejMarsalek GeeSharpMinor
	Local electrostatics algorithm for classical molecular dynamics simulations [My Copy] The Journal of Chemical Physics, Vol. 127, No. 13. (2007), 134104. by Jörg Rottler posted to computing electrostatic by mikaellund on 2008-02-06 08:28:55 as along with 5 people and 1 group sobolevnrm afenley softsimu OndrejMarsalek michaelbussmann baker-group
	The C++ Programming Language: Special Edition [My Copy] (11 February 2000) by Bjarne Stroustrup posted to computing by mikaellund on 2008-02-04 13:23:27 as along with 12 people and 1 group MSukruKuran jmmcg lostcoder matjes charris5 danfcook gardak aespinosa alexzeh chandlerc michaelbussmann sven_luzar Catalysts Bookshelf
	Computer Simulation of Liquids [My Copy] (29 June 1989) by M. P. Allen, D. J. Tildesley posted to computing by mikaellund on 2008-02-04 13:20:33 as along with 6 people horaciotm charris5 kkims agupta0318 OndrejMarsalek alexispaz
	Understanding Molecular Simulation, Second Edition: From Algorithms to Applications (Computational Science Series, Vol 1) [My Copy] (07 November 2001) by Daan Frenkel, B. Smit posted to computing by mikaellund on 2008-02-04 13:18:18 as along with 6 people pjkiley georgwachter charris5 kkims ptupper OndrejMarsalek
	Is the Ewald summation still necessary? Pairwise alternatives to the accepted standard for long-range electrostatics [My Copy] The Journal of Chemical Physics, Vol. 124, No. 23. (2006) by Christopher J. Fennell, Daniel J. Gezelter posted to computing by mikaellund on 2008-01-28 21:03:01 as along with 4 people and 1 group charris5 OndrejMarsalek michaelbussmann sobolevnrm baker-group
	Accelerating molecular modeling applications with graphics processors [My Copy] Journal of Computational Chemistry, Vol. 28, No. 16. (25 September 2007), pp. 2618-2640. by John E. Stone, James C. Phillips, Peter L. Freddolino, David J. Hardy, Leonardo G. Trabuco, Klaus Schulten posted to computing by mikaellund on 2008-01-25 08:50:17 as along with 9 people and 1 group ihaque naoya charris5 timg BragilMassoud ruvido sobolevnrm yalexeev afenley baker-group

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