Pere Constans Nierga

Ph. D. in Chemistry

Contact

Consulting

Customized Software Solutions for Chemistry

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. Physical Chemistry.

Research Interests

NIR data analysis and processing
Numerical algorithms
Molecular and macromolecular similarity
Protein structure and function
Computational and Quantum Chemistry

Selected Publications

C Bozzo, N Mur, P Constans, M D Pujol. Furo[3,4-b]benzodioxin cycloadditions. A one-pot synthesis of functionalized bis-adducts. Eur. J. Org. Chem., 2009.

P Constans. A simple extraction procedure for bibliographical author field. arXiv, 2009.

Preprint PDF Project

P Constans. Approximate textual retrieval. arXiv, 2007.

Preprint PDF Project

M Romero, P Renard, D-H Caignard, G Atassi, X Solans, P Constans, C Bailly, M D Pujol. Synthesis and structure-activity relationships of new benzodioxinic lactones as potential anticancer drugs. J. Med. Chem., 2007.

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

Y Harrak, M Romero, P Constans, M D Pujol. Preparation of diarylamines and arylhydrazines using palladium catalysts. Lett. Org. Chem., 2006.

P Constans. On the functional significance of electron density protein structure alignments. Proteins, 2004.

Preprint PDF Project

P Constans, G E Scuseria. The Laplace transform perturbative triples correction ansatz. Collect. Czech. Chem. Commun., 2003.

P Constans. Linear scaling approaches to Quantum Macromolecular Similarity: Evaluating the similarity function. J. Comput. Chem., 2002.

Preprint PDF Project

P Constans. Tables of atomic densities from H to Kr. 2001.

PDF Dataset Project

P Constans, P Y Ayala, G E Scuseria. Scaling reduction of the perturbative triples correction (T) to coupled cluster theory via Laplace transform formalism. J. Chem. Phys., 2000.

P Constans, J D Hirst. Nonparametric regression applied to Quantitative Structure-Activity Relationships. J. Chem. Inf. Comput. Sci., 2000.

P Constans. Desenvolupament computacional de la semblança molecular quàntica. 1997.

P Constans, L Amat, R Carbó-Dorca. Toward a global maximization of the molecular similarity function: Superposition of two molecules. J. Comput. Chem., 1997.

J Cioslowski, B B Stefanov, P Constans. Efficient algorithm for quantitative assessment of similarities among atoms in molecules. J. Comput. Chem., 1996.

P Constans, R Carbó. Atomic Shell Approximation: Electron density fitting algorithm restricting coefficients to positive values. J. Chem. Inf. Comput. Sci., 1995.

Preprint PDF Project