The H3K4me1 histone mark recruits DNA repair to functionally constrained genomic regions in plants D Quiroz, D Lopez-Mateos, K Zhao, A Pierce, L Ortega, A Ali, ... bioRxiv, 2022.05. 28.493846, 2022 | 11 | 2022 |
Structural and Functional Characterization of a Novel Scorpion Toxin that Inhibits NaV1.8 via Interactions With the DI Voltage Sensor and DII Pore Module K George, D Lopez-Mateos, TM Abd El-Aziz, Y Xiao, J Kline, H Bao, ... Frontiers in Pharmacology 13, 846992, 2022 | 5 | 2022 |
Structural modeling of ion channels using AlphaFold2, RoseTTAFold2, and ESMFold PT Nguyen, BJ Harris, DL Mateos, AH González, AM Murray, ... Channels 18 (1), 2325032, 2024 | 4 | 2024 |
Elucidating molecular mechanisms of protoxin-II state-specific binding to the human NaV1.7 channel K Ngo, D Lopez Mateos, Y Han, KC Rouen, SH Ahn, H Wulff, CE Clancy, ... Journal of General Physiology 156 (2), e202313368, 2023 | 3 | 2023 |
Structural modeling of peptide toxin–ion channel interactions using RosettaDock DL Mateos, V Yarov‐Yarovoy Proteins: Structure, Function, and Bioinformatics 91 (7), 872-889, 2023 | 3 | 2023 |
H3K4me1 recruits DNA repair proteins in plants D Quiroz, S Oya, D Lopez-Mateos, K Zhao, A Pierce, L Ortega, A Ali, ... The Plant Cell, koae089, 2024 | 2 | 2024 |
Electrostatic screening, acidic pH and macromolecular crowding increase the self-assembly efficiency of the minute virus of mice capsid in vitro MA Fuertes, D López Mateos, L Valiente, A Rodríguez Huete, A Valbuena, ... Viruses 15 (5), 1054, 2023 | 2 | 2023 |
Computational design of peptides stabilizing Nav1. 7 channel in an inactivated state DL Mateos, AH Gonzalez, V Yarov-Yarovoy Biophysical Journal 122 (3), 102a, 2023 | 1 | 2023 |
Computationally Driven Design of Novel BACE-1 Inhibitors for Alzheimer's Disease MM Chinn, DL Mateos, MA Riley, JB Siegel bioRxiv, 2023.11. 15.567308, 2023 | 1 | 2023 |
Atomistic mechanisms of the regulation of small-conductance Ca2+-activated K+ channel (SK2) by PIP2 RL Woltz, Y Zheng, W Choi, K Ngo, P Trinh, L Ren, PN Thai, BJ Harris, ... Proceedings of the National Academy of Sciences 121 (39), e2318900121, 2024 | | 2024 |
Harnessing Deep Learning Methods for Voltage-Gated Ion Channel Drug Discovery DL Mateos, BJ Harris, AH González, K Narang, V Yarov-Yarovoy Physiology, 2024 | | 2024 |
Computational design of binders targeting the VSDIV from NaV1. 7 sodium channel DL Mateos, AM Murray, HM Nguyen, P Venkatesh, B Koepnick, D Baker, ... Biophysical Journal 123 (3), 108a, 2024 | | 2024 |
MD simulation identifies a novel and direct mechanism for PIP2 activation of SK2 RL Woltz, W Choi, K Ngo, BJ Harris, Y Han, K Rouen, P Trinh, ... Biophysical Journal 123 (3), 256a, 2024 | | 2024 |
Computational Drug Design of Novel Agonists of the μ-Opioid Receptor to Inhibit Pain Signaling N Daoud, DL Mateos, MA Riley, JB Siegel bioRxiv, 2023 | | 2023 |
Methods for stable multimeric molecular dynamics simulation and modeling of cardiac SK2 channel function RL Woltz, N Chiamvimonvat, V Yarov-Yarovoy, K DeMarco, A Srivatsa, ... Biophysical Journal 122 (3), 177a, 2023 | | 2023 |
Simulations reveal molecular mechanisms of high affinity and selective binding of the tarantula venom protoxin-2 to the human NaV1. 7 channel K Ngo, DL Mateos, Y Han, V Yarov-Yarovoy, CE Clancy, IV Vorobyov Biophysical Journal 122 (3), 179a, 2023 | | 2023 |
Using rosetta and alphafold to assess Jingzhaotoxin-III binding to hNav1. 5 and hKv2. 1 BJ Harris, DL Mateos, G Hareland, V Yarov-Yarovoy Biophysical Journal 122 (3), 102a, 2023 | | 2023 |
Computational assessment of molecular mechanisms underlying hERG K+ channel conduction and affinity for drug binding K Ngo, K Rouen, JRD Dawson, K DeMarco, AME Cortez, J Maly, ... Biophysical Journal 122 (3), 179a, 2023 | | 2023 |
Structural and Functional Characterization of a Novel Scorpion Toxin that Inhibits NaV1. 8 via Interactions With the DI Voltage Sensor and DII Pore Module. Front. Pharmacol. 13 … K George, D Lopez-Mateos, TM Abd El-Aziz, Y Xiao, J Kline, H Bao, ... Frontiers in Pharmacology| www. frontiersin. org 13, 2022 | | 2022 |
Developing a stable full atom molecular dynamics model starting from a cyro-EM structure of a K+ channel bound to regulatory protein and varying PIP2 concentrations to … RL Woltz, A Srivatsa, K DeMarco, DL Mateos, PT Nguyen, XD Zhang, ... Biophysical Journal 121 (3), 369a, 2022 | | 2022 |