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)
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)
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, 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)
Szarecka A., Meirovitch H.
Optimization of the GB/SA solvation model for
predicting the structure of surface loops in proteins.
J. Phys. Chem. B. 2006:110; 2869-2880.
(.pdf)
White, RP and Meirovitch, H.
Free volume hypothetical scanning
molecular dynamics method for the absolute free energy of liquids,
J. Chem. Phys.
124,
204108 (2006)
(.pdf)
Cheluvaraja S, Meirovitch H.
Calculation of the
entropy and free energy of peptides by molecular dynamics simulations using
the hypothetical scanning molecular dynamics method,
J. Chem. Phys.
124,
1 (2006)
(.pdf)
White, RP and
Meirovitch, H. Minimalist Explicit Solvation Models for Surface Loops in
Proteins, Journal of Chem. Theory and Comput. (In press)
(.pdf)
