Josep Gelpi

2007

• Dissection of the recognition properties of p38 MAP Kinase. Determination of the binding mode of a new pyridinyl-heterocycle inhibitor family

  R. Soliva, J L. Gelpí, C. Almansa, M. Virgili, and M. Orozco

2006

• A fast method for the determination of fractional contributions to solvation in proteins

  D. Talavera, A. Morreale, A. Hospital, C. Ferrer-Costa, J L. Gelpí, X. de la Cruz, T. Meyer, R. Soliva, F J. Luque, and M. Orozco

2005

• Molecular Dynamics Extended Library

  J L. Gelpí
• SAR and 3D-QSAR Studies on thiadiaolidinones (TDZDs) derivatives: Esploration of structural requeriments as glycogen synthase kinase 3 (GSK-3) inhibitors

  J L. Gelpí, A. Martínez, A. Alonso, A. Castro, I. Dorronsoro, F J. Luque, C. Pérez, and F. J. Moreno
• Partition of protein solvation into group contributions from molecular dynamics simulations

  A. Morreale, X. de la Cruz, T. Meyer, J L. Gelpí, F J. Luque, and M. Orozco
• PMUT: A Web-based tool for the annotation of pathological mutations on proteins

  C. Ferrer-Costa, J L. Gelpí, L. Zamakola, I. Parrága, X. de la Cruz, and M. Orozco
• Theoretical study of the truncated hemoglobin HbN: Exploring the molecular basis of the NO detoxification mechanism

  A. Crespo, M. Martí, S. G. Kalko, A. Morreale, M. Orozco, J L. Gelpí, F J. Luque, and D. A. Estrín

2004

• Cystinuria-specific rBAT(R365W) mutation reveals two translocation pathways in the amino acid transporter rBAT-b0,+AT

  Biochemical Journal

  M. PINEDA, C. A. WAGNER, A. BRÖER, P. A. STEHBERGER, S. KALTENBACH, J L. Gelpí, R. M. A. R. T. Í. N. del RÍO, A. Zorzano, M. Palacín, F. LANG, and S. BRÖER
• Unconventional interactions between water and heterocyclic nitrogens in protein structures

  EJ. Stollar, J L. Gelpí, S. Velankar, A. Golovin, M. Orozco, and BF. Luisi
• Linear response theory: an alternative to PB and GB methods for the analysis of molecular dynamics trajectories?

  A. Morreale, X. de la Cruz, T. Meyer, J L. Gelpí, F J. Luque, and M. Orozco