Karplus M - Search Results

1

Free energy simulations: the meaning of the individual contributions from a component analysis.

Boresch S, Archontis G, Karplus M. Boresch S, et al. Among authors: karplus m. Proteins. 1994 Sep;20(1):25-33. doi: 10.1002/prot.340200105. Proteins. 1994. PMID: 7824520

2

The meaning of component analysis: decomposition of the free energy in terms of specific interactions.

Boresch S, Karplus M. Boresch S, et al. Among authors: karplus m. J Mol Biol. 1995 Dec 15;254(5):801-7. doi: 10.1006/jmbi.1995.0656. J Mol Biol. 1995. PMID: 7500351

3

Free energy simulations come of age: protein-ligand recognition.

Simonson T, Archontis G, Karplus M. Simonson T, et al. Among authors: karplus m. Acc Chem Res. 2002 Jun;35(6):430-7. doi: 10.1021/ar010030m. Acc Chem Res. 2002. PMID: 12069628 Review.

4

Enthalpic contribution to protein stability: insights from atom-based calculations and statistical mechanics.

Lazaridis T, Archontis G, Karplus M. Lazaridis T, et al. Among authors: karplus m. Adv Protein Chem. 1995;47:231-306. doi: 10.1016/s0065-3233(08)60547-1. Adv Protein Chem. 1995. PMID: 8561050 Review. No abstract available.

5

Binding free energies and free energy components from molecular dynamics and Poisson-Boltzmann calculations. Application to amino acid recognition by aspartyl-tRNA synthetase.

Archontis G, Simonson T, Karplus M. Archontis G, et al. Among authors: karplus m. J Mol Biol. 2001 Feb 16;306(2):307-27. doi: 10.1006/jmbi.2000.4285. J Mol Biol. 2001. PMID: 11237602

6

Glycogen phosphorylase inhibitors: a free energy perturbation analysis of glucopyranose spirohydantoin analogues.

Archontis G, Watson KA, Xie Q, Andreou G, Chrysina ED, Zographos SE, Oikonomakos NG, Karplus M. Archontis G, et al. Among authors: karplus m. Proteins. 2005 Dec 1;61(4):984-98. doi: 10.1002/prot.20641. Proteins. 2005. PMID: 16245298

7

Specific amino acid recognition by aspartyl-tRNA synthetase studied by free energy simulations.

Archontis G, Simonson T, Moras D, Karplus M. Archontis G, et al. Among authors: karplus m. J Mol Biol. 1998 Feb 6;275(5):823-46. doi: 10.1006/jmbi.1997.1470. J Mol Biol. 1998. PMID: 9480772

8

Effective energy function for proteins in solution.

Lazaridis T, Karplus M. Lazaridis T, et al. Among authors: karplus m. Proteins. 1999 May 1;35(2):133-52. doi: 10.1002/(sici)1097-0134(19990501)35:2<133::aid-prot1>3.0.co;2-n. Proteins. 1999. PMID: 10223287

9

Zinc binding in proteins and solution: a simple but accurate nonbonded representation.

Stote RH, Karplus M. Stote RH, et al. Among authors: karplus m. Proteins. 1995 Sep;23(1):12-31. doi: 10.1002/prot.340230104. Proteins. 1995. PMID: 8539245

10

Improving the accuracy of protein pKa calculations: conformational averaging versus the average structure.

van Vlijmen HW, Schaefer M, Karplus M. van Vlijmen HW, et al. Among authors: karplus m. Proteins. 1998 Nov 1;33(2):145-58. doi: 10.1002/(sici)1097-0134(19981101)33:2<145::aid-prot1>3.0.co;2-i. Proteins. 1998. PMID: 9779784

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