mikaellund's md [26 articles] Export

Recent papers added to mikaellund's library classified by the tag md. You can also see everyone's md.

	A new GROMOS force field for hexopyranose-based carbohydrates [My Copy] Journal of Computational Chemistry, Vol. 26, No. 13. (2005), pp. 1400-1412. by Roberto D. Lins, Philippe H. Hünenberger posted to md cellulose by mikaellund on 2009-12-14 03:00:02 as
	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
	Ion specific correlations in bulk and at biointerfaces [My Copy] J. Phys. Condens. Matter, Vol. 21, No. 42. (2009), 424108. by I. Kalcher, D. Horinek, R. R. Netz, J. Dzubiella posted to md ionpair hofmeister by mikaellund on 2009-11-05 10:39:59 as
	Effect of Ions on the Hydrophobic Interaction between Two Plates [My Copy] Journal of the American Chemical Society, Vol. 129, No. 15. (1 April 2007), pp. 4678-4686. by Ronen Zangi, Morten Hagen, B. J. Berne posted to md hydrophobic hofmeister by mikaellund on 2009-10-23 23:21:22 as along with 1 person and 1 group samjlord moernerlab
	Isotropic periodic sum: A method for the calculation of long-range interactions [My Copy] The Journal of Chemical Physics, Vol. 122, No. 4. (2005), 044107. by Xiongwu Wu, Bernard R. Brooks posted to md electrostatic by mikaellund on 2009-10-21 09:36:42 as
	Isotropic periodic sum of electrostatic interactions for polar systems [My Copy] The Journal of Chemical Physics, Vol. 131, No. 2. (2009), 024107. by Xiongwu Wu, Bernard R. Brooks posted to md electrostatic by mikaellund on 2009-10-21 09:34:42 as along with 2 people agrossfield dlimmer
	Using simulation to study solvation in water [My Copy] Pure Appl. Chem., Vol. 73 (2001), pp. 1721-1731. by R. M. Lynden-Bell, J. C. Rasaiah, J. P. Noworyta posted to md solvation by mikaellund on 2009-07-02 21:31:21 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
	Ion Pairing in Molecular Simulations of Aqueous Alkali Halide Solutions [My Copy] J. Phys. Chem. B, Vol. 113, No. 19. (14 May 2009), pp. 6782-6791. by Christopher J. Fennell, Alan Bizjak, Vojko Vlachy, Ken A. Dill posted to hofmeister md by mikaellund on 2009-06-22 11:10:13 as along with 2 people and 1 group flbarroso sobolevnrm baker-group
	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
	Structure-thermodynamics relation of electrolyte solutions [My Copy] The Journal of Chemical Physics, Vol. 130, No. 13. (2009), 134507. by Immanuel Kalcher, Joachim Dzubiella posted to md osmotic by mikaellund on 2009-05-13 10:54:00 as along with 1 person and 1 group sobolevnrm baker-group
	Protein-Protein Interaction Investigated by Steered Molecular Dynamics: The TCR-pMHC Complex [My Copy] Biophys. J., Vol. 95, No. 8. (15 October 2008), pp. 3575-3590. by Michel A. Cuendet, Olivier Michielin posted to md protein-protein by mikaellund on 2009-05-06 14:19:08 as
	Molecular Dynamics Characterization of Protein Crystal Contacts in Aqueous Solutions [My Copy] Phys. Rev. Lett., Vol. 101, No. 24. (2008), pp. 248102-248105. by G. Pellicane, G. Smith, L. Sarkisov posted to aggregation electrostatic md by mikaellund on 2009-04-28 12:55:28 as along with 1 person flbarroso
	Discrete Charge Patterns, Coulomb Correlations and Interactions in Protein Solutions [My Copy] Europhys. Lett., Vol. 57 (2002), pp. 731-737. by E. Allahyarov, H. Löwen, J. P. Hansen, A. A. Louis posted to md virial by mikaellund on 2009-03-05 15:11:09 as
	Molecular dynamics simulation of alpha-lactalbumin and calcium binding c-type lysozyme [My Copy] Protein Eng., Vol. 12, No. 2. (1 February 1999), pp. 129-139. by Lakshmanan K. Iyer, Pradman K. Qasba posted to md whey by mikaellund on 2009-03-05 14:51:50 as
	Osmotic and activity coefficients from effective potentials for hydrated ions [My Copy] Physical Review E, Vol. 55, No. 5. (1 May 1997), 5689. by Alexander P. Lyubartsev, Aatto Laaksonen posted to activity ionpair md virial by mikaellund on 2009-01-30 08:02:46 as along with 1 person flbarroso
	Atomistic Simulation Study of Calcium, Phosphate and Fluoride Ion Association to the Teleopeptide-Tails of Collagen - Initial Steps to Biomineral Formation [My Copy] Zeitschrift für anorganische und allgemeine Chemie, Vol. 633, No. 3. (2007), pp. 411-414. by Thorsten Schepers, Jürgen Brickmann, Oliver Hochrein, Dirk Zahn posted to aggregation fluoride md by mikaellund on 2008-12-11 17:14:15 as
	Protein-Protein Interaction Investigated by Steered Molecular Dynamics: The TCR-pMHC Complex [My Copy] Biophys. J., Vol. 95, No. 8. (15 October 2008), pp. 3575-3590. by Michel A. Cuendet, Olivier Michielin posted to aggregation md by mikaellund on 2008-10-03 08:35:33 as along with 2 people softsimu paulschlesinger
	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
	Specific Ion Binding to Macromolecules: Effects of Hydrophobicity and Ion Pairing [My Copy] Langmuir, Vol. 24, No. 7. (23 February 2008), pp. 3387-3391. by M. Lund, R. Vacha, P. Jungwirth posted to himself hofmeister ion-binding md by mikaellund on 2008-04-22 12:40:09 as along with 1 person and 1 group sobolevnrm baker-group
	Quantification and rationalization of the higher affinity of sodium over potassium to protein surfaces [My Copy] Proceedings of the National Academy of Sciences, Vol. 103, No. 42. (17 October 2006), pp. 15440-15444. by Lubos Vrbka, Jiri Vondrasek, Barbara Jagoda-Cwiklik, Robert Vacha, Pavel Jungwirth posted to ion-binding md by mikaellund on 2008-02-07 12:41:58 as along with 1 person robertvacha
	Water at Hydrophobic Surfaces: When Weaker Is Better [My Copy] J. Am. Chem. Soc. (18 January 2008) by D. K. Hore, D. S. Walker, G. L. Richmond posted to hydrophobic interface md by mikaellund on 2008-01-29 09:19:25 as along with 2 people charris5 sunrise
	Molecular Dynamics Study of Polymer-Water Interaction in Hydrogels. 1. Hydrogen-Bond Structure [My Copy] Macromolecules, Vol. 29, No. 21. (7 October 1996), pp. 6750-6760. by Y. Tamai, H. Tanaka, K. Nakanishi posted to md pnipam by mikaellund on 2008-01-25 09:25:56 as
	Molecular Dynamics Study of Polymer-Water Interaction in Hydrogels. 2. Hydrogen-Bond Dynamics [My Copy] Macromolecules, Vol. 29, No. 21. (7 October 1996), pp. 6761-6769. by Y. Tamai, H. Tanaka, K. Nakanishi posted to md pnipam by mikaellund on 2008-01-25 09:22:38 as
	Molecular Dynamics Study of Water in Hydrogels [My Copy] Molecular Simulation, Vol. 16, No. 4. (1996), pp. 359-374. by Yoshinori Tamai, Hideki Tanaka, Koichiro Nakanishi posted to md pnipam by mikaellund on 2008-01-25 09:14:27 as

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protein	59
aggregation	52
electrostatic	50
hofmeister	48
continuum-model	42
ion-binding	29
computing	28
md	26
alignment	23
hydrophobic	22
statmek	22
himself	19
charge-regulation	16
protein-protein	16
activity	14
titration	14
whey	13
virial	13
ionpair	10
seawater	10
pnipam	9
saliva	8
interface	8
antibody	7
taa	7
forcefield	7
solvation	6
continuum	5
polymers	4
phosphate	4
pcm	3
vdw	3
chloroform	3
airwater	2
fluoride	2
antimicrobial	2
nmr	2
monte-carlo	2
multipole	2
surface	2
osmotic	2
radii	1
membrane	1
docking	1
fibril	1
hydrophilic	1
stability	1
ion-correlation	1
macromolecules	1
ab-initio	1
cellulose	1
structure	1
brownian	1
guanidine	1
lipid	1
nitrate	1
liquid	1
cavity	1
coarse-graining	1

mikaellund's md [26 articles] Export

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