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Recent developments in methodologies for calculating the entropy and free energy of biological systems by computer simulation.
- H. Meirovitch
- BiologyCurrent opinion in structural biology
- 1 April 2007
The optimal fraction of hydrophobic residues required to ensure protein collapse.
- J. Miao, J. Klein-Seetharaman, H. Meirovitch
- BiologyJournal of molecular biology
- 26 November 2004
Empirical Studies of Hydrophobicity. 1. Effect of Protein Size on the Hydrophobic Behavior of Amino Acids
- H. Meirovitch, S. Rackovsky, H. Scheraga
- Biology
- 1 November 1980
Computer simulation of self-avoiding walks: Testing the scanning method
- H. Meirovitch
- Physics
- 1 July 1983
The scanning method is a computer simulation technique for macromolecules suggested recently. The method is described here in detail and its applicability (in contrast to other simulation techniques)…
Methods for calculating the entropy and free energy and their application to problems involving protein flexibility and ligand binding.
- H. Meirovitch, S. Cheluvaraja, Ronald P White
- Biology, ChemistryCurrent protein & peptide science
- 31 May 2009
TLDR
Absolute free energy of binding of avidin/biotin, revisited.
- I. General, R. Dragomirova, H. Meirovitch
- Chemistry, BiologyThe journal of physical chemistry. B
- 14 June 2012
TLDR
Simulation of a free energy upper bound, based on the anticorrelation between an approximate free energy functional and its fluctuation
- H. Meirovitch
- Physics
- 11 October 1999
The local states and hypothetical scanning methods enable one to define a series of lower bound approximations for the free energy, FA from a sample of configurations simulated by any exact method.…
The effect of loops on the structural organization of alpha-helical membrane proteins.
- O. Tastan, J. Klein-Seetharaman, H. Meirovitch
- BiologyBiophysical journal
- 18 March 2009
A Simple and Effective Procedure for Conformational Search of Macromolecules: Application to Met- and Leu-Enkephalin
- H. Meirovitch, E. Meirovitch, A. Michel, M. Vásquez
- Chemistry, Physics
- 23 June 1994
A simple and efficient method for searching the conformational space of macromolecules is presented. With this method an initial set of relatively low-energy structures is generated, and their…
Collapse transition of self-avoiding walks on a square lattice in the bulk and near a linear wall : the universality classes of the θ and θ' points
- I. Chang, H. Meirovitch
- Physics
- 1993
Using the scanning method we study by extensive simulations the θ transition of self-avoiding walks with nearest-neighbor attractions in the bulk and near a linear wall on a square lattice.…
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