Karplus M - Search Results

1

Binding free energy differences in a TCR-peptide-MHC complex induced by a peptide mutation: a simulation analysis.

Michielin O, Karplus M. Michielin O, et al. Among authors: karplus m. J Mol Biol. 2002 Nov 29;324(3):547-69. doi: 10.1016/s0022-2836(02)00880-x. J Mol Biol. 2002. PMID: 12445788

2

T cell recognition of hapten. Anatomy of T cell receptor binding of a H-2kd-associated photoreactive peptide derivative.

Kessler B, Michielin O, Blanchard CL, Apostolou I, Delarbre C, Gachelin G, Grégoire C, Malissen B, Cerottini JC, Wurm F, Karplus M, Luescher IF. Kessler B, et al. Among authors: karplus m. J Biol Chem. 1999 Feb 5;274(6):3622-31. doi: 10.1074/jbc.274.6.3622. J Biol Chem. 1999. PMID: 9920911 Free article.

3

Modeling of the TCR-MHC-peptide complex.

Michielin O, Luescher I, Karplus M. Michielin O, et al. Among authors: karplus m. J Mol Biol. 2000 Jul 28;300(5):1205-35. doi: 10.1006/jmbi.2000.3788. J Mol Biol. 2000. PMID: 10903865

4

Relation between sequence and structure of HIV-1 protease inhibitor complexes: a model system for the analysis of protein flexibility.

Zoete V, Michielin O, Karplus M. Zoete V, et al. Among authors: karplus m. J Mol Biol. 2002 Jan 4;315(1):21-52. doi: 10.1006/jmbi.2001.5173. J Mol Biol. 2002. PMID: 11771964

5

Protein-ligand binding free energy estimation using molecular mechanics and continuum electrostatics. Application to HIV-1 protease inhibitors.

Zoete V, Michielin O, Karplus M. Zoete V, et al. Among authors: karplus m. J Comput Aided Mol Des. 2003 Dec;17(12):861-80. doi: 10.1023/b:jcam.0000021882.99270.4c. J Comput Aided Mol Des. 2003. PMID: 15124934

6

Conformational analysis of a stereochemically complete set of cis-enediol peptide analogues.

Michielin O, Zoete V, Gierasch TM, Eckstein J, Napper A, Verdine G, Karplus M. Michielin O, et al. Among authors: karplus m. J Am Chem Soc. 2002 Sep 18;124(37):11131-41. doi: 10.1021/ja012695p. J Am Chem Soc. 2002. PMID: 12224961

7

Crystal structures of two closely related but antigenically distinct HLA-A2/melanocyte-melanoma tumor-antigen peptide complexes.

Sliz P, Michielin O, Cerottini JC, Luescher I, Romero P, Karplus M, Wiley DC. Sliz P, et al. Among authors: karplus m. J Immunol. 2001 Sep 15;167(6):3276-84. doi: 10.4049/jimmunol.167.6.3276. J Immunol. 2001. PMID: 11544315

8

Molecular recognition in proteins. Simulation analysis of substrate binding by a tyrosyl-tRNA synthetase mutant.

Lau FT, Karplus M. Lau FT, et al. Among authors: karplus m. J Mol Biol. 1994 Mar 4;236(4):1049-66. doi: 10.1016/0022-2836(94)90011-6. J Mol Biol. 1994. PMID: 8120886

9

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

10

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

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