Karplus M - Search Results

1

Acid and thermal denaturation of barnase investigated by molecular dynamics simulations.

Caflisch A, Karplus M. Caflisch A, et al. Among authors: karplus m. J Mol Biol. 1995 Oct 6;252(5):672-708. doi: 10.1006/jmbi.1995.0528. J Mol Biol. 1995. PMID: 7563082

2

Molecular dynamics simulation of protein denaturation: solvation of the hydrophobic cores and secondary structure of barnase.

Caflisch A, Karplus M. Caflisch A, et al. Among authors: karplus m. Proc Natl Acad Sci U S A. 1994 Mar 1;91(5):1746-50. doi: 10.1073/pnas.91.5.1746. Proc Natl Acad Sci U S A. 1994. PMID: 8127876 Free PMC article.

3

Structural details of urea binding to barnase: a molecular dynamics analysis.

Caflisch A, Karplus M. Caflisch A, et al. Among authors: karplus m. Structure. 1999 May;7(5):477-88. doi: 10.1016/s0969-2126(99)80064-1. Structure. 1999. PMID: 10378267 Free article.

4

Forces and energetics of hapten-antibody dissociation: a biased molecular dynamics simulation study.

Paci E, Caflisch A, Plückthun A, Karplus M. Paci E, et al. Among authors: karplus m. J Mol Biol. 2001 Nov 30;314(3):589-605. doi: 10.1006/jmbi.2001.5103. J Mol Biol. 2001. PMID: 11846569

5

Multiple copy simultaneous search and construction of ligands in binding sites: application to inhibitors of HIV-1 aspartic proteinase.

Caflisch A, Miranker A, Karplus M. Caflisch A, et al. Among authors: karplus m. J Med Chem. 1993 Jul 23;36(15):2142-67. doi: 10.1021/jm00067a013. J Med Chem. 1993. PMID: 8340918

6

One-dimensional barrier-preserving free-energy projections of a beta-sheet miniprotein: new insights into the folding process.

Krivov SV, Muff S, Caflisch A, Karplus M. Krivov SV, et al. Among authors: karplus m. J Phys Chem B. 2008 Jul 24;112(29):8701-14. doi: 10.1021/jp711864r. Epub 2008 Jul 1. J Phys Chem B. 2008. PMID: 18590307 Free PMC article.

7

New insights into the folding of a β-sheet miniprotein in a reduced space of collective hydrogen bond variables: application to a hydrodynamic analysis of the folding flow.

Kalgin IV, Caflisch A, Chekmarev SF, Karplus M. Kalgin IV, et al. Among authors: karplus m. J Phys Chem B. 2013 May 23;117(20):6092-105. doi: 10.1021/jp401742y. Epub 2013 May 15. J Phys Chem B. 2013. PMID: 23621790 Free PMC article.

8

Titration calculations of foot-and-mouth disease virus capsids and their stabilities as a function of pH.

van Vlijmen HW, Curry S, Schaefer M, Karplus M. van Vlijmen HW, et al. Among authors: karplus m. J Mol Biol. 1998 Jan 16;275(2):295-308. doi: 10.1006/jmbi.1997.1418. J Mol Biol. 1998. PMID: 9466910

9

Temperature dependence of the structure and dynamics of myoglobin. A simulation approach.

Kuczera K, Kuriyan J, Karplus M. Kuczera K, et al. Among authors: karplus m. J Mol Biol. 1990 May 20;213(2):351-73. doi: 10.1016/S0022-2836(05)80196-2. J Mol Biol. 1990. PMID: 2342112

10

Cooperativity in Scapharca dimeric hemoglobin: simulation of binding intermediates and elucidation of the role of interfacial water.

Zhou Y, Zhou H, Karplus M. Zhou Y, et al. Among authors: karplus m. J Mol Biol. 2003 Feb 14;326(2):593-606. doi: 10.1016/s0022-2836(02)01329-3. J Mol Biol. 2003. PMID: 12559925

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