Simulation of deep eutectic solvents: Progress to promises C Velez, O Acevedo Wiley Interdisciplinary Reviews: Computational Molecular Science 12 (4), e1598, 2022 | 39 | 2022 |
Partial charges optimized by genetic algorithms for deep eutectic solvent simulations X Zhong, C Velez, O Acevedo Journal of chemical theory and computation 17 (5), 3078-3087, 2021 | 19 | 2021 |
Accurate Diels-Alder Energies and Endo Selectivity in Ionic Liquids Using the OPLS-VSIL Force Field C Velez, B Doherty, O Acevedo International journal of molecular sciences 21 (4), 1190, 2020 | 16 | 2020 |
Naturally occurring cancer-associated mutations disrupt oligomerization and activity of protein arginine methyltransferase 1 (PRMT1) OM Price, A Thakur, A Ortolano, A Towne, C Velez, O Acevedo, JM Hevel Journal of Biological Chemistry 297 (5), 2021 | 11 | 2021 |
Discovery of 3-chlorobenzyl-linked 1, 9-diazaspiro [5.5] undecane derivatives, a lead for dengue virus type 2 infection MSR Gangireddy, VN Badavath, C Velez, N Loeanurit, A Thakur, ... New journal of chemistry 46 (3), 1087-1098, 2022 | 3 | 2022 |
Mycobactin analogue interacting with siderophore efflux-pump protein: insights from molecular dynamics simulations and whole-cell assays M Shyam, A Thakur, C Velez, C Daniel, O Acevedo, S Bhakta, ... Frontiers in Antibiotics 3, 1362516, 2024 | | 2024 |
Molecular Simulations of Chemical Phenomena: Exploring the Effect of Cancer-Associated Mutations on the Reactivity of Protein Arginine Methyltransferase 1 and Investigating the … C Velez University of Miami, 0 | | |