Karplus M - Search Results

1

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

2

Study of the insulin dimerization: binding free energy calculations and per-residue free energy decomposition.

Zoete V, Meuwly M, Karplus M. Zoete V, et al. Among authors: karplus m. Proteins. 2005 Oct 1;61(1):79-93. doi: 10.1002/prot.20528. Proteins. 2005. PMID: 16080143

3

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

4

A comparison of the dynamic behavior of monomeric and dimeric insulin shows structural rearrangements in the active monomer.

Zoete V, Meuwly M, Karplus M. Zoete V, et al. Among authors: karplus m. J Mol Biol. 2004 Sep 17;342(3):913-29. doi: 10.1016/j.jmb.2004.07.033. J Mol Biol. 2004. PMID: 15342246

5

Investigation of glucose binding sites on insulin.

Zoete V, Meuwly M, Karplus M. Zoete V, et al. Among authors: karplus m. Proteins. 2004 May 15;55(3):568-81. doi: 10.1002/prot.20071. Proteins. 2004. PMID: 15103621

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

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

8

Design, synthesis, and biological evaluation of HSP90 inhibitors based on conformational analysis of radicicol and its analogues.

Moulin E, Zoete V, Barluenga S, Karplus M, Winssinger N. Moulin E, et al. Among authors: karplus m. J Am Chem Soc. 2005 May 18;127(19):6999-7004. doi: 10.1021/ja043101w. J Am Chem Soc. 2005. PMID: 15884943

9

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

10

Asymmetric synthesis of pochonin E and F, revision of their proposed structure, and their conversion to potent Hsp90 inhibitors.

Karthikeyan G, Zambaldo C, Barluenga S, Zoete V, Karplus M, Winssinger N. Karthikeyan G, et al. Among authors: karplus m. Chemistry. 2012 Jul 16;18(29):8978-86. doi: 10.1002/chem.201200546. Epub 2012 Jun 13. Chemistry. 2012. PMID: 22696415

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