Meirovitch Lab Recent Publications (2003-05)

Ronald P. White, Hagai Meirovitch. Calculation of the entropy of random coil polymers with the hypothetical scanning Monte Carlo method. J. Chem. Phys. 2005:123; 214908-11. (.pdf)

Cheluvaraja S, Meirovitch H. Calculation of the entropy and free energy from Monte Carlo simulations of a peptide stretched by an external force. J. Phys. Chem. B. 2005:109; 21963-21970. (.pdf)

Ronald P. White, Jason Funt, Hagai Meirovitch. Calculation of the entropy of lattice polymer models from Monte Carlo trajectories. Chemical Physics Letters 410 (2005) 430–435. (.pdf)

Das B, Meirovitch H. Solvation parameters for predicting the structure of surface loops in proteins: Transferability and entropic effects. Proteins 2003:51;470-483. (.pdf)

Ozkan B. S., Meirovitch H. Efficient conformational search method for peptides and proteins: Monte Carlo minimization with an Adaptive bias.  J. Phys. Chem. B. 2003: 107; p. 9128-9131. (.pdf)

Das B, Meirovitch H, Navon IM. Performance of hybrid methods for large-scale unconstrained optimization as applied to models of proteins. J. Comput. Chem. 2003: 24;1222-1231. (.pdf)

Ozkan B. S., Meirovitch H. Conformational search of peptides and proteins: Monte Carlo minimization with an adaptive bias method applied to the heptapeptide deltorphin. J. Comput. Chem. 2004: 25; 565-572. (.pdf)

Szarecka A, White R.P, Meirovitch H Absolute entropy and free energy of fluids using the hypothetical scanning method. I. Calculation of transition probabilities from local grand canonical partition functions. J. Chem. Phys. 2003: 119; 12084-12095. (.pdf)

White RP, Meirovitch H. Absolute entropy and free energy of fluids using the hypothetical scanning method.. II. Transition Probabilities from Canonical Monte Carlo Simulations of Partial Systems. J. Chem. Phys. 2003: 119; 12096-12105. (.pdf)

White RP, Meirovitch H. A simulation method for calculating the Absolute entropy and free energy of  fluids: Application to liquid argon and water.  Proc. Natl. Acad. Sci. USA 2004:101; 9235-9240.  (.pdf)

Cheluvaraja S, Meirovitch H. Simulation method for calculating the entropy and free energy of peptides and proteins. Proc. Natl. Acad. Sci. USA 2004:101;9241-9246. (.pdf)

Miao J, Klein-Seetharamanan J, Meirovitch H. The optimal fraction of hydrophobic residues required to ensure protein collapse. J. Mol. Biol. 2004:344: 797-811. (.pdf)

White RP, Meirovitch H.  Lower and upper bounds for the absolute free energy by the hypothetical scanning Monte Carlo method: Application to liquid argon and water. J. Chem. Phys. 2004:121; 10889-10904 (.pdf)

Cheluvaraja S, Meirovitch H. Calculation of the entropy and free energy by the hypothetical scanning Monte Carlo Method: Application to peptides. J. Chem. Phys. 2005:122; 54903-54914 (.pdf)

 

 

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