Molecular basis for higher affinity of SARS‐CoV‐2 spike RBD for human ACE2 receptor JM Delgado, N Duro, DM Rogers, A Tkatchenko, SA Pandit, S Varma Proteins: Structure, Function, and Bioinformatics 89 (9), 1134-1144, 2021 | 43 | 2021 |
Transferable interactions of Li+ and Mg2+ ions in polarizable models V Wineman-Fisher, JM Delgado, PR Nagy, E Jakobsson, SA Pandit, ... The Journal of Chemical Physics 153 (10), 2020 | 13 | 2020 |
Inclusion of High-Field Target Data in AMOEBA’s Calibration Improves Predictions of Protein–Ion Interactions JA Delgado, V Wineman-Fisher, S Pandit, S Varma Journal of chemical information and modeling 62 (19), 4713-4726, 2022 | 6 | 2022 |
Polarizable AMOEBA Model for Simulating Mg2+·Protein·Nucleotide Complexes JM Delgado, PR Nagy, S Varma Journal of Chemical Information and Modeling 64 (2), 378-392, 2023 | 3 | 2023 |
Variations in the Biophysical Properties of DMPG and DPPG Membranes with Staphyloxanthin: A Molecular Dynamics Simulation Study DR Figueroa, JE Cabrera, JAM Delgado, GP Miscione, C Leidy, ... Biophysical Journal 120 (3), 43a, 2021 | 2 | 2021 |
Studying the role of staphyloxanthin in modulating membrane structural parameters in DMPG and DPPG lipid bilayers JAM Delgado Uniandes, 2018 | 1 | 2018 |
Improved polarizable force field for modeling Mg2+ binding to proteins and nucleotides JA Melendez, PR Nagy, S Varma Biophysical Journal 122 (3), 37a, 2023 | | 2023 |
AMOEBA-Ions: improved description of high field polarization for interactions of proteins with monovalent cations JA Melendez, V Wineman-Fisher, S Varma Biophysical Journal 121 (3), 50a, 2022 | | 2022 |