SOME RECENT PUBLICATIONS

 X. Periole, M.A. Ceruso, and E.L. Mehler. Acid-Base Equilibria in Rhodopsin: Dependence of the Protonation State of Glu 134 on Its Environment, Biochemistry, 43, 6858-64 (2004).

S.A. Hassan, E.L. Mehler, D. Zhang, and H Weinstein, Molecular Dynamics Simulations of Peptides and  Proteins with an Implicit Solvent Model Based on Screened Coulomb Potentials. PROTEINS: Structure, Function and Genetics, 51, 109-125 (2003).

E.L. Mehler, X. Periole, S.A. Hassan, and H. Weinstein. Key issues in the Computational Simulation of  GPCR Function: Representation of  Loop Domains. J. Computer Aided Molecular Design, 16, 841-853 (2002).

E.L. Mehler, M. Fuxreiter and B. Garcia-Moreno E., The Role of Hydrophobic Microenvironments in Modulating pKa Shifts in Proteins. PROTEINS: Structure, Function and Genetics, 48, 283-292, (2002).

Sergio A. Hassan and Ernest L. Mehler, A Critical Analysis of the Screened Coulomb Potential-Implicit Solvent Model: Study of the Alanine Dipeptide and Discrimination of Misfolded Structures of Proteins. PROTEINS: Structure, Function and Genetics, 47, 45-61, (2002).

S.A. Hassan, E. L. Mehler and H. Weinstein, Structure Calculation of Protein Segments Connecting Domains with Defined Secondary Structure: A Simulated Annealing Monte Carlo Combined with Biased Scaled Collective Variables Technique. In: Hark K, Schlick T, editors. Lecture Notes in Computational Science and Engineering, Vol 24. Springer-Verlag AG, New York, 2002, 197-231.

S.A. Hassan and E.L. Mehler, A General Screened Coulomb Potential Based Implicit Solvent Model: Calculation of Secondary Structure of Small Peptides. Int. J. Quantum Chemistry, 83, 193-202, (2001).

M. Tartaglia, E.L. Mehler, et al. Mutations in PTPN11, Encoding the Protein Tyrosine Phophatase SHP-2, cause Noonan Syndrome. Nature Genetics, 29, 465-468. (2001).

S.A. Hassan, F. Guarnieri, E.L. Mehler, A General Treatment of Solvent Effects Based on Screened Coulomb Potentials. J. Phys. Chem., 104, 6478-6489, (2000).

S.A. Hassan, F. Guarnieri, E.L. Mehler, Characterization Of Hydrogen Bonding In A Continuum Solvent Model. J. Phys. Chem., 104, 6490-6498, (2000).

E.L. Mehler and F. Guarnieri, A Self-Consistent, Microenvironment Modulated Approximation to Calculate pH Dependent Electrostatic Effects in Proteins. Biophys. J., 77. 3-22 (1999).