| Predicting adsorption affinities of small molecules on carbon nanotubes using molecular dynamics simulation J Comer, R Chen, H Poblete, A Vergara-Jaque, JE Riviere ACS nano 9 (12), 11761-11774, 2015 | 98 | 2015 |
| Computationally efficient methodology for atomic-level characterization of dendrimer–drug complexes: a comparison of amine-and acetyl-terminated PAMAM A Vergara-Jaque, J Comer, L Monsalve, FD Gonzalez-Nilo, C Sandoval The Journal of Physical Chemistry B 117 (22), 6801-6813, 2013 | 94 | 2013 |
| Mutation Update of the CLCN5 Gene Responsible for Dent Disease 1 L Mansour‐Hendili, A Blanchard, N Le Pottier, I Roncelin, S Lourdel, ... Human mutation 36 (8), 743-752, 2015 | 89 | 2015 |
| The bacterial dicarboxylate transporter VcINDY uses a two-domain elevator-type mechanism C Mulligan, C Fenollar-Ferrer, GA Fitzgerald, A Vergara-Jaque, ... Nature structural & molecular biology 23 (3), 256-263, 2016 | 82 | 2016 |
| Insights into the structural basis of N2 and O6 substituted guanine derivatives as cyclin-dependent kinase 2 (CDK2) inhibitors: prediction of the binding modes and potency of … JH Alzate-Morales, J Caballero, A Vergara Jague, FD Gonzalez Nilo Journal of chemical information and modeling 49 (4), 886-899, 2009 | 63 | 2009 |
| Repeat-swap homology modeling of secondary active transporters: updated protocol and prediction of elevator-type mechanisms A Vergara-Jaque, C Fenollar-Ferrer, D Kaufmann, LR Forrest Frontiers in Pharmacology 6, 183, 2015 | 54 | 2015 |
| Study of differences in the VEGFR2 inhibitory activities between semaxanib and SU5205 using 3D-QSAR, docking, and molecular dynamics simulations C Munoz, F Adasme, JH Alzate-Morales, A Vergara-Jaque, T Kniess, ... Journal of Molecular Graphics and Modelling 32, 39-48, 2012 | 53 | 2012 |
| Computational study on the interaction of N1 substituted pyrazole derivatives with B-Raf kinase: an unusual water wire hydrogen-bond network and novel interactions at the … JH Alzate-Morales, A Vergara-Jaque, J Caballero Journal of chemical information and modeling 50 (6), 1101-1112, 2010 | 36 | 2010 |
| KCTD5, a novel TRPM4-regulatory protein required for cell migration as a new predictor for breast cancer prognosis J Rivas, N Díaz, I Silva, D Morales, B Lavanderos, A Álvarez, ... Wiley, 2020 | 34 | 2020 |
| Molecular basis of drug resistance in A/H1N1 virus A Vergara-Jaque, H Poblete, EH Lee, K Schulten, F González-Nilo, ... Journal of chemical information and modeling 52 (10), 2650-2656, 2012 | 31 | 2012 |
| EB1‐and EB2‐dependent anterograde trafficking of TRPM4 regulates focal adhesion turnover and cell invasion C Blanco, D Morales, I Mogollones, A Vergara‐Jaque, C Vargas, ... The FASEB Journal 33 (8), 9434-9452, 2019 | 24 | 2019 |
| Family resemblances: A common fold for some dimeric ion-coupled secondary transporters A Vergara-Jaque, C Fenollar-Ferrer, C Mulligan, JA Mindell, LR Forrest Journal of General Physiology 146 (5), 423-434, 2015 | 23 | 2015 |
| Investigation of the differences in activity between hydroxycycloalkyl N1 substituted pyrazole derivatives as inhibitors of B-Raf kinase by using docking, molecular dynamics … J Caballero, JH Alzate-Morales, A Vergara-Jaque Journal of chemical information and modeling 51 (11), 2920-2931, 2011 | 23 | 2011 |
| Docking and quantitative structure–activity relationship studies for sulfonyl hydrazides as inhibitors of cytosolic human branched-chain amino acid aminotransferase J Caballero, A Vergara-Jaque, M Fernández, D Coll Molecular diversity 13, 493-500, 2009 | 23 | 2009 |
| Emulating proton-induced conformational changes in the vesicular monoamine transporter VMAT2 by mutagenesis D Yaffe, A Vergara-Jaque, LR Forrest, S Schuldiner Proceedings of the National Academy of Sciences 113 (47), E7390-E7398, 2016 | 22 | 2016 |
| Study of the affinity between the protein kinase PKA and peptide substrates derived from kemptide using molecular dynamics simulations and MM/GBSA K Mena-Ulecia, A Vergara-Jaque, H Poblete, W Tiznado, J Caballero PLoS One 9 (10), e109639, 2014 | 22 | 2014 |
| In situ and in silico evaluation of amine-and folate-terminated dendrimers as nanocarriers of anesthetics V Carrasco-Sánchez, A Vergara-Jaque, M Zuñiga, J Comer, A John, ... European Journal of Medicinal Chemistry 73, 250-257, 2014 | 21 | 2014 |
| Iodide binding in sodium-coupled cotransporters A Vergara-Jaque, P Fong, J Comer Journal of Chemical Information and Modeling 57 (12), 3043-3055, 2017 | 19 | 2017 |
| A transient amphipathic helix in the prodomain of PCSK9 facilitates binding to low-density lipoprotein particles SK Sarkar, ACY Foo, A Matyas, I Asikhia, T Kosenko, NK Goto, ... Journal of Biological Chemistry 295 (8), 2285-2298, 2020 | 17 | 2020 |
| Exploring the fundamental role of potassium channels in novel model plants I Dreyer, A Vergara-Jaque, J Riedelsberger, W González Journal of Experimental Botany 70 (21), 5985-5989, 2019 | 17 | 2019 |
Jeffrey ComerKansas State UniversityVerified email at ksu.edu
