Chaya Rapp

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Chaya

Rapp

Associate Professor of Chemistry; Chair of Chemistry and Biochemistry

Email:

rappc@yu.edu

Office Phone:

646.592.4866

Office Address:

Beren campus - Stanton Hall (245 Lexington)
Room#550

Education:

BA, Columbia University,

MA, Columbia University,

PhD, Columbia University,

Chaya Rapp CV (PDF)

Biography:

Chaya Rapp has been a member of the department of Chemistry and Biochemistry at Stern College since 1999 and is currently associate professor of Chemistry and department chair. She received her Ph.D. in theoretical chemistry from Columbia University. She teaches General Chemistry, Honors General Chemistry, and Physical Chemistry and is involved in the advisement of pre-health students.

Dr. Rapp’s research interests involve using a range of computational methods such as molecular mechanics, quantum mechanics, molecular dynamics and docking to address problems related to protein structure and function. In the summer of 2002, she participated in CASP5, the 5th Critical Assessment of Protein Structure worldwide competition. In 2011, she was awarded NIH R15 grant for her proposal entitled "Computational Modeing of Post-translational Modification in Proteins."

Publications:

C. Rapp, E. Goldberger, N. Tishbi, and R. Kirshenbaum. “Cation-p Interactions of Methylated Ammonium Ions: A Quantum Mechanical Study” (2014) Proteins: Structure, Function, and Bioinformatics 82:1494-1502.

C. Rapp, S. Snow, T. Laufer, and C.L. Mcclendon. “The role of tyrosine sulfation in the dimerization of the CXCR4:SDF-1 complex” (2013) Protein Science 22:1025–1036.

C. Rapp, H. Klerman, E. Levine, and C.L. McClendon. “Hydrogen Bond Strengths in Phosphorylated and Sulfated Amino Acid Residues” (2013). PLoS ONE 8(3): e57804. doi:10.1371/journal.pone.0057804

C. Rapp, C. Kalyanaraman, A. Schiffmiller, E.L. Schoenbrun, and M.P. Jacobson.

"A Molecular Mechanics Approach to Modeling Protein-Ligand Interactions: Relative Binding Affinities in Congeneric Series" (2011) Journal of Chemical Information and Modeling 51(9), 2082–2089.

C. Rapp, C. Schonbrun, M.P. Jacobson, C. Kalyanaraman and N. Huang. "Automated Site Preparation in Physics-Based Rescoring of Receptor Ligand Complexes" (2009) Proteins: Structure, Function, and Bioinformatics 77(1), 52-61.

C. Rapp, T. Strauss, G. Fuentes and A. Nederveen. “Prediction of Protein Loops in Solution” (2007) Proteins: Structure, Function, and Bioinformatics 69(1), 69-74.

D.J. Mandell, I. Chorny, E.S. Groban, S. Wong, E. Levine, C.S. Rapp, and M.P. Jacobson. "The strengths of hydrogen bonds involving phosphorylated amino acid side chains" (2007) Journal of the American Chemical Society, 129(4), 820-827.

C. Rapp and R.M. Pollack. “Crystal Packing Effects on Protein Loops” (2005) Proteins: Structure, Function, and Bioinformatics 60(1), 103-109.

M.P. Jacobson, D.L. Pincus, C.S. Rapp, T. Day, B. Honig, D.E. Shaw and R.A. Friesner. "A Hierarchical Approach to All-Atom Loop Prediction" (2004) Proteins: Structure, Function, and Bioinformatics 55(2), 351-367.

Z. Yu, M.P. Jacobson, J. Josovitz, C.S. Rapp and R.A. Friesner. “First Shell Solvation of Ion Pairs: Correction of Systematic Errors in Implicit Solvent Models” (2004) Journal of Physical Chemistry B, 108, 6643-6654.

M.P. Jacobson, G.A. Kaminski, R.A. Friesner and C.S. Rapp. “Force Field Validation Using Protein Side Chain Prediction” (2002) Journal of Physical Chemistry B, 106, 11673-11680.

C.S. Rapp and R.A. Friesner. “Prediction of Loop Geometries using a Generalized Born model of Solvation Effects” (1999) Proteins: Structure, Function, and Bioinformatics 35(2), 173-183.

A. Ghosh, C.S. Rapp and R.A. Friesner. “A Generalized Born Model based on a Surface Integral Formulation” (1998) Journal of Physical Chemistry B, 102, 10983-10990.