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Pere Constans, Ph. D.

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Research and Education

• Rice University. Department of Chemistry.
• Mount Sinai School of Medicine. Department of Biophysics.
• The Scripps Research Institute. Department of Molecular Biology.
• Institute of Computational Chemistry. Ph. D., Chemistry, Unanimous Cum Laude mention.
• University of Barcelona. M. S., Physical Chemistry.

Research Interests

• Molecular and macromolecular similarity
• Protein structure and function
• Numerical Algorithms
• Quantum Chemistry

Selected & Recent Publications

• P. Constans. Approximate textual retrieval. arXiv:0705.0751 (2007).

• M. Romero, P. Renard, D.-H. Caignard, G. Atassi, X. Solans, P. Constans, C. Bailly, and M. D. Pujol. Synthesis and structure-activity relationships of new benzodioxinic lactones as potential anticancer drugs. Journal of Medicinal Chemistry, 50, 294-307 (2007).

• M. Romero, Y. Harrak, J. Basset, L. Ginet, P. Constans, and M.D. Pujol. Preparation of N-arylpiperazines and other N-aryl compounds from aryl bromides as scaffolds of bioactive compounds. Tetrahedron, 62, 9010-9016 (2006).

• Y. Harrak, M. Romero, P. Constans, and M. D. Pujol. Preparation of Diarylamines and Arylhydrazines using Palladium Catalysts. Letters in Organic Chemistry, 3, 29-34 (2006).

• P. Constans. On the functional significance of electron density protein structure alignments. Proteins: Structure, Function and Bioinformatics, 55, 646-655 (2004).

• P. Constans and G. E. Scuseria. The Laplace transform perturbative triples correction ansatz. Collection of Czechoslovak Chemical Communications, 68, 357-373 (2003).

• P. Constans. Linear Scaling Approaches to Quantum Macromolecular Similarity: Evaluating the Similarity Function. Journal of Computational Chemistry, 23, 1305-1313 (2002).

• P. Constans, P. Y. Ayala, and G. E. Scuseria. Scaling reduction of the perturbative triples correction (T) to coupled cluster theory via Laplace transform formalism. Journal of Chemical Physics, 113, 10451-10458 (2000).

• P. Constans and J. Hirst. Nonparametric Regression Applied to Quantitative Structure-Activity Relationships. Journal of Chemical Information and Computer Sciences, 40, 452-459 (2000).

• P. Constans. Desenvolupament computacional de la semblança molecular quàntica. Ph. D. Dissertation, (1997). Published online Feb. 2002, TDC@T, NDLTD.

• P. Constans, L. Amat, and R. Carbó-Dorca. Toward a global maximization of the molecular similarity function: Superposition of two molecules. Journal of Computational Chemistry, 18, 826-846 (1997).

• J. Cioslowski, B. B. Stefanov, and P. Constans. Efficient algorithm for quantitative assessment of similarities among atoms in molecules. Journal of Computational Chemistry, 17, 1352-1358 (1996).

• P. Constans and R. Carbó. Atomic Shell Approximation: Electron density fitting algorithm restricting coefficients to positive values. Journal of Chemical Information and Computer Sciences, 35, 1046-1053 (1995).