| Assessment of network module identification across complex diseases S Choobdar, ME Ahsen, J Crawford, M Tomasoni, T Fang, D Lamparter, ... Nature Methods 16, 843–852, 2019 | 271 | 2019 |
| pH-triggered conformational switching of the diphtheria toxin T-domain: the roles of N-terminal histidines IV Kurnikov, A Kyrychenko, JC Flores-Canales, MV Rodnin, N Simakov, ... Journal of molecular biology 425 (15), 2752-2764, 2013 | 58 | 2013 |
| Molecular mechanism of sugar transport in plants unveiled by structures of glucose/H+ symporter STP10 L Bavnhøj, PA Paulsen, JC Flores-Canales, B Schiøtt, BP Pedersen Nature Plants 7 (10), 1409-1419, 2021 | 33 | 2021 |
| Role of acidic residues in helices TH8–TH9 in membrane interactions of the diphtheria toxin T domain C Ghatak, MV Rodnin, M Vargas-Uribe, AJ McCluskey, ... Toxins 7 (4), 1303-1323, 2015 | 32 | 2015 |
| Open community challenge reveals molecular network modules with key roles in diseases S Choobdar, ME Ahsen, J Crawford, M Tomasoni, T Fang, D Lamparter, ... bioRxiv, 265553, 2018 | 28 | 2018 |
| Protein structure modeling and refinement by global optimization in CASP12 SH Hong, IS Joung, JC Flores‐Canales, B Manavalan, Q Cheng, S Heo, ... Proteins: Structure, Function, and Bioinformatics 86, 122-135, 2018 | 19 | 2018 |
| Targeting electrostatic interactions in accelerated molecular dynamics with application to protein partial unfolding JC Flores-Canales, M Kurnikova Journal of chemical theory and computation 11 (6), 2550-2559, 2015 | 18 | 2015 |
| Membrane association of the diphtheria toxin translocation domain studied by coarse-grained simulations and experiment JC Flores-Canales, M Vargas-Uribe, AS Ladokhin, M Kurnikova The Journal of membrane biology 248, 529-543, 2015 | 12 | 2015 |
| Predicting Molecular Properties of α‐Synuclein Using Force Fields for Intrinsically Disordered Proteins KB Pedersen, JC Flores‐Canales, B Schiøtt Proteins: Structure, Function, and Bioinformatics, 2022 | 11 | 2022 |
| Atom diffusion of small Cu clusters across facet–facet barriers over Cu {1 1 1} surfaces BH Aguilar, JC Flores, AM Coronado, H Huang Modelling and Simulation in Materials Science and Engineering 15 (5), 419, 2007 | 11 | 2007 |
| Double rotation mechanism in small Cu clusters concerted diffusion over Cu {1 1 1} surfaces JC Flores, BH Aguilar, AM Coronado, H Huang Surface science 601 (4), 931-935, 2007 | 10 | 2007 |
| Microsecond simulations of the diphtheria toxin translocation domain in association with anionic lipid bilayers JC Flores-Canales, M Kurnikova The Journal of Physical Chemistry B 119 (36), 12074-12085, 2015 | 9 | 2015 |
| Configurational preference of the glutamate receptor ligand binding domain dimers M Yonkunas, M Buddhadev, JCF Canales, MG Kurnikova Biophysical Journal 112 (11), 2291-2300, 2017 | 6 | 2017 |
| A hierarchical approach to predict conformation-dependent histidine protonation states in stable and flexible proteins SN Sakipov, JC Flores-Canales, MG Kurnikova The Journal of Physical Chemistry B 123 (24), 5024-5034, 2019 | 5 | 2019 |
| Fast and flexible geometric method for enhancing MC sampling of compact configurations for protein docking problem A Ozkan, JC Flores-Canales, R Prabhu, M Sitharam, M Kurnikova arXiv preprint arXiv:1408.2481, 2014 | 5 | 2014 |
| Baseline Comparisons of Complementary Sampling Methods for Assembly Driven by Short-Ranged Pair Potentials toward Fast and Flexible Hybridization A Ozkan, M Sitharam, JC Flores-Canales, R Prabhu, M Kurnikova Journal of Chemical Theory and Computation 17 (3), 1967-1987, 2021 | 4 | 2021 |
| Simulating Multiple Substrate-Binding Events by γ-Glutamyltransferase Using Accelerated Molecular Dynamics F Oliva, JC Flores-Canales, S Pieraccini, CF Morelli, M Sironi, B Schiøtt The Journal of Physical Chemistry B 124 (45), 10104-10116, 2020 | 3 | 2020 |
| Microsecond Molecular Dynamics Simulations of Diphtheria Toxin Translocation T-Domain pH-Dependent Unfolding in Solution JC Flores-Canales, NA Simakov, M Kurnikova bioRxiv, 572040, 2019 | 3 | 2019 |
| Multiscale simulations of diphtheria toxin T-domain membrane association JC Flores-Canales, AS Ladokhin, M Kurnikova Biophysical Journal 106 (2), 441a, 2014 | 1 | 2014 |
| Network Analysis and Kinetic Clustering Methods Applied to Molecular Dynamics Simulations of Proteins in Complex Environments JC Flores-Canales, NA Berglund, B Schiøtt Biophysical Journal 120 (3), 301a, 2021 | | 2021 |
Maria KurnikovaProfessor of Chemistry, Carnegie Mellon UniversityVerified email at andrew.cmu.edu
