Meirovitch H - Search Results

1

Methods for calculating the entropy and free energy and their application to problems involving protein flexibility and ligand binding.

Meirovitch H, Cheluvaraja S, White RP. Meirovitch H, et al. Curr Protein Pept Sci. 2009 Jun;10(3):229-43. doi: 10.2174/138920309788452209. Curr Protein Pept Sci. 2009. PMID: 19519453 Free PMC article. Review.

2

Simulation method for calculating the entropy and free energy of peptides and proteins.

Cheluvaraja S, Meirovitch H. Cheluvaraja S, et al. Among authors: meirovitch h. Proc Natl Acad Sci U S A. 2004 Jun 22;101(25):9241-6. doi: 10.1073/pnas.0308201101. Epub 2004 Jun 14. Proc Natl Acad Sci U S A. 2004. PMID: 15197271 Free PMC article.

3

Lower and upper bounds for the absolute free energy by the hypothetical scanning Monte Carlo method: application to liquid argon and water.

White RP, Meirovitch H. White RP, et al. Among authors: meirovitch h. J Chem Phys. 2004 Dec 8;121(22):10889-904. doi: 10.1063/1.1814355. J Chem Phys. 2004. PMID: 15634040

4

Calculation of the entropy and free energy by the hypothetical scanning Monte Carlo method: application to peptides.

Cheluvaraja S, Meirovitch H. Cheluvaraja S, et al. Among authors: meirovitch h. J Chem Phys. 2005 Feb 1;122(5):54903. doi: 10.1063/1.1835911. J Chem Phys. 2005. PMID: 15740349

5

Calculation of the entropy of random coil polymers with the hypothetical scanning Monte Carlo method.

White RP, Meirovitch H. White RP, et al. Among authors: meirovitch h. J Chem Phys. 2005 Dec 1;123(21):214908. doi: 10.1063/1.2132285. J Chem Phys. 2005. PMID: 16356071 Free PMC article.

6

Free volume hypothetical scanning molecular dynamics method for the absolute free energy of liquids.

White RP, Meirovitch H. White RP, et al. Among authors: meirovitch h. J Chem Phys. 2006 May 28;124(20):204108. doi: 10.1063/1.2199529. J Chem Phys. 2006. PMID: 16774320 Free PMC article.

7

Calculation of the entropy and free energy of peptides by molecular dynamics simulations using the hypothetical scanning molecular dynamics method.

Cheluvaraja S, Meirovitch H. Cheluvaraja S, et al. Among authors: meirovitch h. J Chem Phys. 2006 Jul 14;125(2):24905. doi: 10.1063/1.2208608. J Chem Phys. 2006. PMID: 16848609

8

Calculation of the entropy and free energy from monte carlo simulations of a peptide stretched by an external force.

Cheluvaraja S, Meirovitch H. Cheluvaraja S, et al. Among authors: meirovitch h. J Phys Chem B. 2005 Nov 24;109(46):21963-70. doi: 10.1021/jp052969l. J Phys Chem B. 2005. PMID: 16853854 Free PMC article.

9

Entropy and free energy of a mobile protein loop in explicit water.

Cheluvaraja S, Mihailescu M, Meirovitch H. Cheluvaraja S, et al. Among authors: meirovitch h. J Phys Chem B. 2008 Aug 7;112(31):9512-22. doi: 10.1021/jp801827f. Epub 2008 Jul 10. J Phys Chem B. 2008. PMID: 18613721 Free PMC article.

In previous studies HSMD (and HS Monte CarloHSMC) has been extended systematically to systems of increasing complexity, where the most recent is the seven-residue mobile loop, 304-310 (Gly-His-Gly-Ala-Gly-Gly-Ser) of the enzyme porcine pancreatic alpha-amylase modeled by the AMBE …

In previous studies HSMD (and HS Monte CarloHSMC) has been extended systematically to systems of increasing complexity, where the most recen …

10

A simulation method for calculating the absolute entropy and free energy of fluids: application to liquid argon and water.

White RP, Meirovitch H. White RP, et al. Among authors: meirovitch h. Proc Natl Acad Sci U S A. 2004 Jun 22;101(25):9235-40. doi: 10.1073/pnas.0308197101. Epub 2004 Jun 14. Proc Natl Acad Sci U S A. 2004. PMID: 15197270 Free PMC article.

Save citations to file

Email citations

Send citations to clipboard

Add to Collections

Add to My Bibliography

Create a file for external citation management software

Your saved search

Your RSS Feed

My NCBI Filters

Text availability

Article attribute

Article type

Publication date

57 results

Search Page