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The last 5 uploaded publications
Molecular Dynamics Simulations of the Unfolding of Barnase in Water and 8 M Aqueous Urea
Julian Tirado‐Rives, Modesto Orozco, William L. Jorgensen (1997). Molecular Dynamics Simulations of the Unfolding of Barnase in Water and 8 M Aqueous Urea. Biochemistry, 36(24), pp. 7313-7329, DOI: 10.1021/bi970096i.
Article384 days agoAccuracy of free energies of hydration for organic molecules from 6‐31g*‐derived partial charges
Heather A. Carlson, Toan B. Nguyen, Modesto Orozco, William L. Jorgensen (1993). Accuracy of free energies of hydration for organic molecules from 6‐31g*‐derived partial charges. Journal of Computational Chemistry, 14(10), pp. 1240-1249, DOI: 10.1002/jcc.540141013.
Article384 days agoComparison of 6‐31G*‐based MST/SCRF and FEP evaluations of the free energies of hydration for small neutral molecules
Modesto Orozco, William L. Jorgensen, F. Javier Luque (1993). Comparison of 6‐31G*‐based MST/SCRF and FEP evaluations of the free energies of hydration for small neutral molecules. Journal of Computational Chemistry, 14(12), pp. 1498-1503, DOI: 10.1002/jcc.540141212.
Article384 days agoMechanism for the rotamase activity of FK506 binding protein from molecular dynamics simulations
Modesto Orozco, Julian Tirado‐Rives, William L. Jorgensen (1993). Mechanism for the rotamase activity of FK506 binding protein from molecular dynamics simulations. Biochemistry, 32(47), pp. 12864-12874, DOI: 10.1021/bi00210a040.
Article384 days agoData Supplement from A Comprehensive DNA Methylation Profile of Epithelial-to-Mesenchymal Transition
F. Javier Carmona, Verónica Dávalos, Enrique Vidal, Antonio Gomez, Holger Heyn, Yutaka Hashimoto, Miguel Vizoso, Anna Martínez‐Cardús, Sergi Sayols, Humberto J. Ferreira, José V. Sánchez‐Mut, Sebastián Morán, Mireia Margelí Vila, Eva Castellà, María Berdasco, Ólafur Andri Stefánsson, Jorunn E. Eyfjord, Eva González‐Suárez, Joaquı́n Dopazo, Modesto Orozco, Marta Gut, Manel Esteller (2023). Data Supplement from A Comprehensive DNA Methylation Profile of Epithelial-to-Mesenchymal Transition. , DOI: https://doi.org/10.1158/0008-5472.22403573.
Preprint310 days ago