Scheraga HA - Search Results

1

Evolution of physics-based methodology for exploring the conformational energy landscape of proteins.

Scheraga HA, Pillardy J, Liwo A, Lee J, Czaplewski C, Ripoll DR, Wedemeyer WJ, Arnautova YA. Scheraga HA, et al. J Comput Chem. 2002 Jan 15;23(1):28-34. doi: 10.1002/jcc.1154. J Comput Chem. 2002. PMID: 11913387

2

Energy-based reconstruction of a protein backbone from its alpha-carbon trace by a Monte-Carlo method.

Kaźmierkiewicz R, Liwo A, Scheraga HA. Kaźmierkiewicz R, et al. Among authors: scheraga ha. J Comput Chem. 2002 May;23(7):715-23. doi: 10.1002/jcc.10068. J Comput Chem. 2002. PMID: 11948589

3

Proline cis-trans isomerization and protein folding.

Wedemeyer WJ, Welker E, Scheraga HA. Wedemeyer WJ, et al. Among authors: scheraga ha. Biochemistry. 2002 Dec 17;41(50):14637-44. doi: 10.1021/bi020574b. Biochemistry. 2002. PMID: 12475212

4

Helix-coil transitions re-visited.

Scheraga HA, Vila JA, Ripoll DR. Scheraga HA, et al. Biophys Chem. 2002 Dec 10;101-102:255-65. doi: 10.1016/s0301-4622(02)00175-8. Biophys Chem. 2002. PMID: 12488006

5

Packing helices in proteins by global optimization of a potential energy function.

Nanias M, Chinchio M, Pillardy J, Ripoll DR, Scheraga HA. Nanias M, et al. Among authors: scheraga ha. Proc Natl Acad Sci U S A. 2003 Feb 18;100(4):1706-10. doi: 10.1073/pnas.252760199. Epub 2003 Feb 5. Proc Natl Acad Sci U S A. 2003. PMID: 12571353 Free PMC article.

6

Addition of side chains to a known backbone with defined side-chain centroids.

Kaźmierkiewicz R, Liwo A, Scheraga HA. Kaźmierkiewicz R, et al. Among authors: scheraga ha. Biophys Chem. 2003;100(1-3):261-80. doi: 10.1016/s0301-4622(02)00285-5. Biophys Chem. 2003. PMID: 12646370

7

Atomically detailed folding simulation of the B domain of staphylococcal protein A from random structures.

Vila JA, Ripoll DR, Scheraga HA. Vila JA, et al. Among authors: scheraga ha. Proc Natl Acad Sci U S A. 2003 Dec 9;100(25):14812-6. doi: 10.1073/pnas.2436463100. Epub 2003 Nov 24. Proc Natl Acad Sci U S A. 2003. PMID: 14638943 Free PMC article.

8

Coupling between conformation and proton binding in proteins.

Vila JA, Ripoll DR, Arnautova YA, Vorobjev YN, Scheraga HA. Vila JA, et al. Among authors: scheraga ha. Proteins. 2005 Oct 1;61(1):56-68. doi: 10.1002/prot.20531. Proteins. 2005. PMID: 16080152

9

Protein structure prediction with the UNRES force-field using Replica-Exchange Monte Carlo-with-Minimization; Comparison with MCM, CSA, and CFMC.

Nanias M, Chinchio M, Ołdziej S, Czaplewski C, Scheraga HA. Nanias M, et al. Among authors: scheraga ha. J Comput Chem. 2005 Nov 15;26(14):1472-86. doi: 10.1002/jcc.20286. J Comput Chem. 2005. PMID: 16088925

10

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

Arnautova YA, Jagielska A, Scheraga HA. Arnautova YA, et al. Among authors: scheraga ha. J Phys Chem B. 2006 Mar 16;110(10):5025-44. doi: 10.1021/jp054994x. J Phys Chem B. 2006. PMID: 16526746

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