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Similar articles for PubMed (Select 16035088)

1.

A new GROMOS force field for hexopyranose-based carbohydrates.

Lins RD, Hünenberger PH.

J Comput Chem. 2005 Oct;26(13):1400-12.

PMID:
16035088
3.

A new force field (ECEPP-05) for peptides, proteins, and organic molecules.

Arnautova YA, Jagielska A, Scheraga HA.

J Phys Chem B. 2006 Mar 16;110(10):5025-44.

PMID:
16526746
4.

An improved OPLS-AA force field for carbohydrates.

Kony D, Damm W, Stoll S, Van Gunsteren WF.

J Comput Chem. 2002 Nov 30;23(15):1416-29.

PMID:
12370944
6.

Conformation, dynamics, solvation and relative stabilities of selected beta-hexopyranoses in water: a molecular dynamics study with the GROMOS 45A4 force field.

Kräutler V, Müller M, Hünenberger PH.

Carbohydr Res. 2007 Oct 15;342(14):2097-124. Epub 2007 May 18.

PMID:
17573054
7.

Conformational and dynamical properties of disaccharides in water: a molecular dynamics study.

Pereira CS, Kony D, Baron R, Müller M, van Gunsteren WF, Hünenberger PH.

Biophys J. 2006 Jun 15;90(12):4337-44. Epub 2006 Mar 31.

8.

A point-charge force field for molecular mechanics simulations of proteins based on condensed-phase quantum mechanical calculations.

Duan Y, Wu C, Chowdhury S, Lee MC, Xiong G, Zhang W, Yang R, Cieplak P, Luo R, Lee T, Caldwell J, Wang J, Kollman P.

J Comput Chem. 2003 Dec;24(16):1999-2012.

PMID:
14531054
9.

An improved nucleic acid parameter set for the GROMOS force field.

Soares TA, Hünenberger PH, Kastenholz MA, Kräutler V, Lenz T, Lins RD, Oostenbrink C, van Gunsteren WF.

J Comput Chem. 2005 May;26(7):725-37.

PMID:
15770662
10.

Conformational properties of glucose-based disaccharides investigated using molecular dynamics simulations with local elevation umbrella sampling.

Perić-Hassler L, Hansen HS, Baron R, Hünenberger PH.

Carbohydr Res. 2010 Aug 16;345(12):1781-801. doi: 10.1016/j.carres.2010.05.026. Epub 2010 Jun 1.

PMID:
20576257
12.

Additive empirical force field for hexopyranose monosaccharides.

Guvench O, Greene SN, Kamath G, Brady JW, Venable RM, Pastor RW, Mackerell AD Jr.

J Comput Chem. 2008 Nov 30;29(15):2543-64. doi: 10.1002/jcc.21004.

13.

A molecular mechanics force field for lignin.

Petridis L, Smith JC.

J Comput Chem. 2009 Feb;30(3):457-67. doi: 10.1002/jcc.21075.

PMID:
18677707
14.
15.

An extensible and systematic force field, ESFF, for molecular modeling of organic, inorganic, and organometallic systems.

Shi S, Yan L, Yang Y, Fisher-Shaulsky J, Thacher T.

J Comput Chem. 2003 Jul 15;24(9):1059-76.

PMID:
12759906
16.

Refining the description of peptide backbone conformations improves protein simulations using the GROMOS 53A6 force field.

Cao Z, Lin Z, Wang J, Liu H.

J Comput Chem. 2009 Mar;30(4):645-60. doi: 10.1002/jcc.21092.

PMID:
18780355
18.

A consistent potential energy parameter set for lipids: dipalmitoylphosphatidylcholine as a benchmark of the GROMOS96 45A3 force field.

Chandrasekhar I, Kastenholz M, Lins RD, Oostenbrink C, Schuler LD, Tieleman DP, van Gunsteren WF.

Eur Biophys J. 2003 Mar;32(1):67-77. Epub 2003 Jan 21.

PMID:
12632209
19.
20.

Polarizable empirical force field for alkanes based on the classical Drude oscillator model.

Vorobyov IV, Anisimov VM, MacKerell AD Jr.

J Phys Chem B. 2005 Oct 13;109(40):18988-99.

PMID:
16853445
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