Publications

  1. Miranda-Salas, J., Peña-Varas, C., Martínez, I. V., Olmedo, D. A., Zamora, W. J., Chávez-Fumagalli, M. A., Azevedo, D. Q., Castilho, R. O., Maltarollo, V. G., Ramírez, D., & Medina-Franco, J. L. (2023). Trends and challenges in chemoinformatics research in Latin America. Artificial Intelligence in the Life Sciences, 100077. https://doi.org/10.1016/j.ailsci.2023.100077

  1. Zamora, W.; Viayna, A.; Rafols, C.; Ruiz, R.; Pinheiro, S.; Curutchet, C.; Luque, F. (2023). Prediction of Toluene/Water Partition Coefficient in the SAMPL9 Blind Challenge: Machine Learning Models and Extension of the Quantum Mechanics-Based Continuum Solvation IEF-PCM/MST Model. Preprint at ChemRxiv. https://chemrxiv.org/engage/chemrxiv/article-details/6424647b91074bccd07d1aa5

  1. Zamora, W.; Hernández, J. and Pinheiro, S. (2023). Effect of the Lipophilicity of Endocannabinoid Peptides on QSAR Studies in the Modulation at CB1 Receptors. Preprint at SSRN http://dx.doi.org/10.2139/ssrn.4339917

  1. Zamora, W.; Rodríguez, J.; García, A.; Pinheiro, S. (2023). Unraveling the encrypted lipophilicity of disulfide bridges in the molecular architecture of proteins and peptides: A machine learning approach in structural bioinformatics. Biophysical Journal, Volume 122, Issue 3, 142a https://doi.org/10.1016/j.bpj.2022.11.930

  1. Wu-Wu, J, Guadamuz-Mayorga,C.; Oviedo-Cerdas,D and Zamora, W. (2023). Antibiotic Resistance and Food Safety: Perspectives on New Technologies and Molecules for Microbial Control in the Food Industry. Antibiotics 12, no. 3: 550. https://doi.org/10.3390/antibiotics12030550

  1. Matamoros, P.; Pinheiro, S.; Viayna, A.; Zamora, W. (2022). Towards an Undestanding of the Lipophilicity of Non-Coded Amino Acids: Computational Simulations of Proline Analogs. IEEE 4th International Conference on BioInspired Processing (BIP), Cartago, Costa Rica, 2022, pp. 1-5. https://doi.org/10.1021/acsomega.2c00545

  1. Araya-Sibaja, A; Fandaruff, C; Guevara-Camargo, A; Vargas Huertas, L; Zamora, W; Vega-Baudrit, J; Guillén-Girón, T; Navarro, Mi; Paoli, P; Rossi, P; Jones, W. (2022). Crystal forms of the antihypertensive drug irbesartan: a crystallographic, spectroscopic and Hirshfeld surface analysis investigation. ACS Omega, 7 (17), 14897-14909. https://doi.org/10.1021/acsomega.2c00545

  1. Zamora, W: Ruiz, R; Elisabeth Bosch, E;,Clara Ràfols, C. (2022). Molecular characteristics of several drugs evaluated from solvent/water partition measurements: Solvation parameters and Intramolecular hydrogen bond indicator. European Journal of Pharmaceutical Sciences. 168, 106066. https://doi.org/10.1016/j.ejps.2021.106066

  1. Araújo, J.; Pinheiro, S.; Zamora, W.; Nahum, C.; Lameida, J.; Lima, A. (2021). Structural and Energetic Analysis of SARS-CoV-2 Non-Structural Protein 9 (NSP9). Scientific Reports. 26;11(1):23003 https://www.nature.com/articles/s41598-021-02366-0

  1. Lopez, K.; Pinheiro, S.; Zamora, W. (2021). Multiple linear regression models for predicting the n octanol/water partition coefficients in the SAMPL7 blind challenge. J Comput Aided Mol Des.;35(8):923-931 https://link.springer.com/article/10.1007%2Fs10822-021-00409-2
  1. Viayna, A.; Pinheiro, S.; Curutchet, C.; Luque, F. Zamora, W. (2021). Prediction of n-octanol/water partition coefficients and acidity constants (pKa) in the SAMPL7 blind challenge with the IEFPCM-MST model. J Comput Aided Mol Des.;35(7):803-811 https://link.springer.com/article/10.1007%2Fs10822-021-00394-6
  1. Zamora, W.; Pinheiro, S.; German, K.; Rafols, C.; Curutchet, C.; Luque, F. (2020). Prediction of the n-Octanol/Water Partition Coefficients in the SAMPL6 Challenge from MST Continuum Solvation Calculations. J. Comput. Aided Mol. Des. 34(4):443-451. https://link.springer.com/article/10.1007/s10822-019-00262-4.

  1. Zamora,W; Pinheiro,S.; Separovic,F.; and F. J. Luque. (2020). Insights into the Effect of the Membrane Environment on the Three-dimensional Structure-function Relationship of Antimicrobial Peptides, Biophysical Journal 118(3), Supplement 1, 236A. https://doi.org/10.1016/j.bpj.2019.11.1394

  1. Zamora, W.; Campanera, J. M.; Luque F.J. (2019). Development of Environment-Adapted Lipophilicity Scale of Amino Acids from MST Continuum Solvation Calculations. J. Phys. Chem. Lett. 10, 883−889. 1https://pubs.acs.org/doi/10.1021/acs.jpclett.9b00028

  1. Zamora, W.; Curutchet, C.; Campanera, J.; Luque, F. (2017). Prediction of pH-dependent Hydrophobic Profiles of Small Molecules from MST Continuum Solvation Calculations. J. Phys. Chem. B. 121, 9868-9880. Special Issue: “Manuel Yáñez and Otilia Mó Festschrift” https://pubs.acs.org/doi/10.1021/acs.jpcb.7b08311

  1. S. Pinheiro, I. Soteras, J. L. Gelpí, F. Dehez, C. Chipot, F. J. Luque and C. Curutchet. (2017).Structural and energetic study of cation–π–cation interactions in proteins, Phys. Chem. Chem. Phys, 19(15), 9849-9861. https://pubs.rsc.org/en/content/articlelanding/2017/cp/c6cp08448f

  1. S. Pinheiro and C. Curutchet. (2017). Can Förster Theory Describe Stereoselective Energy Transfer Dynamics in a Protein–Ligand Complex? J. Phys. Chem. B, 121(10), 2265–2278. https://pubs.acs.org/doi/10.1021/acs.jpcb.7b00217

  1. Navarro, M. H., Zamora, W., Quesada S. Azofeifa, G., Alvarado, D., Monagas, M. (2017). Fractioning of Proanthocyanidins from U. tomentosa. Composition and Structure-Bioactivity Correlation. Antioxidants, 6(3), 60. Special Issue: “Bioactive Phenolic Compounds”. https://www.mdpi.com/2076-3921/6/3/60
  1. Navarro, M.; Moreira, I.; Arnáez, E., Murillo, R.; Rivera, W.; Zamora, W.; Saravia, A.; Vargas, F. (2017). Preliminar Study on Poliphenolic Contents and Antioxidant Capacity of Malus domestica cultivated in Costa Rica. Tecnología en Marcha. 30, 4-13. https://www.scielo.sa.cr/scielo.php?pid=S0379-39822017000100003&script=sci_abstract&tlng=en

  1. Zamora, W.; Campanera, J. M.; Luque F.J. (2015). A new hydrophobicity scale of amino acids based on IEF-MST calculated log PN and log D. Protein Sci. 24, 256-258. Special Issue: “The 29th Annual Symposium of the Protein Society”

  1. Hoyos, M. N., Sánchez-Patán, F., Masis, R., Martín-Álvarez, P. J., Zamora, W., Monagas, M. J., & Bartolomé, B. (2015). Phenolic Assesment of Uncaria tomentosa L. (cat’s claw): Leaves, Stem, Bark and Wood Extracts. Molecules. 20(12), 22703-22717. Special Issue: “Recent Advances in Plant Phenolics”
    https://www.mdpi.com/1420-3049/20/12/19875

  1. Zamora, W. Campanera, J. Luque, F. (2015) Implicit Solvation Methods in the Study of Ligand-Protein Interactions. In C. Cavasotto (Ed.), In silico Drug Discovery and Design: Theory, Methods, Challenges, and Applications. by CRC Press. https://www.taylorfrancis.com/chapters/edit/10.1201/b18799-14/implicit-solvation-methods-study-ligand%E2%80%93protein-interactions-william-zamora-josep-campanera-javier-luque
  1. Moreira-González, I. Arnáez-Serrano, E. Murillo-Masís, R. Quesada-Mora, S. Castro-Araya, V. Zamora, W. Cordero-Hernández, M. Loaiza-Cárdenas, J. Navarro-Hoyos, M. (2014). Study of four plants with traditional medicinal use from Costa Rica’s Huetar Norte and Huetar Atlantica regions. Tecnología en Marcha. 27, 69-77.
  1. Navarro-Hoyos, M. Moreira-González, I. Arnáez-Serrano, E. Murillo-Masís, R. Quesada-Mora, S. Zamora, W. Cordero-Hernández, M. (2014). Preliminar Study on Bioactive Potential of Annona cherimola (anona) and Prunus domestica (ciruelo) Cultivated in Costa Rica. Tecnología en Marcha, VI Encuentro de Investigación y Extensión, 37-44.
  1. Zamora, W. & Fernández, B. (2010). ®Antología. Actualización sobre el enlace químico y sus consecuencias. Ministerio de Educación Pública. Instituto de Desarrollo Profesional Uladislao Gámez Solano.