| m1A and m1G disrupt A-RNA structure through the intrinsic instability of Hoogsteen base pairs H Zhou, IJ Kimsey, EN Nikolova, B Sathyamoorthy, G Grazioli, J McSally, ... Nature structural & molecular biology 23 (9), 803-810, 2016 | 119 | 2016 |
| Comparative exploratory analysis of intrinsically disordered protein dynamics using machine learning and network analytic methods G Grazioli, RW Martin, CT Butts Frontiers in molecular biosciences 6, 42, 2019 | 28 | 2019 |
| Advances in milestoning. I. Enhanced sampling via wind-assisted reweighted milestoning (WARM) G Grazioli, I Andricioaei The Journal of Chemical Physics 149 (8), 2018 | 20 | 2018 |
| Network-based classification and modeling of amyloid fibrils G Grazioli, Y Yu, MH Unhelkar, RW Martin, CT Butts The Journal of Physical Chemistry B 123 (26), 5452-5462, 2019 | 18 | 2019 |
| Advances in milestoning. II. Calculating time-correlation functions from milestoning using stochastic path integrals G Grazioli, I Andricioaei The Journal of Chemical Physics 149 (8), 2018 | 11 | 2018 |
| Network Hamiltonian models reveal pathways to amyloid fibril formation Y Yu, G Grazioli, MH Unhelkar, RW Martin, CT Butts Scientific reports 10 (1), 15668, 2020 | 10 | 2020 |
| Predicting reaction products and automating reactive trajectory characterization in molecular simulations with support vector machines G Grazioli, S Roy, CT Butts Journal of chemical information and modeling 59 (6), 2753-2764, 2019 | 8 | 2019 |
| Rate turnover in mechano-catalytic coupling: A model and its microscopic origin M Roy, G Grazioli, I Andricioaei The Journal of chemical physics 143 (4), 2015 | 8 | 2015 |
| Automated placement of interfaces in conformational kinetics calculations using machine learning G Grazioli, CT Butts, I Andricioaei The Journal of Chemical Physics 147 (15), 2017 | 6 | 2017 |
| Neural upscaling from residue-level protein structure networks to atomistic structures VT Duong, EM Diessner, G Grazioli, RW Martin, CT Butts Biomolecules 11 (12), 1788, 2021 | 5 | 2021 |
| Foregrounding the code: Computational chemistry instructional activities using a highly readable fluid simulation code G Grazioli, A Ingwerson, D Santiago Jr, P Regan, H Cho Journal of Chemical Education 100 (3), 1155-1163, 2023 | 4 | 2023 |
| Local graph stability in exponential family random graph models Y Yu, G Grazioli, NE Phillips, CT Butts SIAM Journal on Applied Mathematics 81 (4), 1389-1415, 2021 | 4 | 2021 |
| Calculating Watson-Crick to Hoogsteen transition kinetics in DNA with Langevin dynamics and Fokker-Planck diffusion in reduced configuration space G Grazioli, I Andricioaei Biophysical Journal 110 (3), 404a-405a, 2016 | 1 | 2016 |
| Genetic Algorithm for Automated Parameterization of Network Hamiltonian Models of Amyloid Fibril Formation G Grazioli, A Tao, I Bhatia, P Regan The Journal of Physical Chemistry B, 2024 | | 2024 |
| Investigating intracellular SIRT1 regulation mechanisms using molecular dynamics simulations and machine learning HL Bui, J Prado, N Wang, G Grazioli Biophysical Journal 123 (3), 551a, 2024 | | 2024 |
| Simulated evolution of optimal network Hamiltonian models for 5 amyloid fibril topologies using a genetic algorithm G Grazioli, A Tao, A Pham Biophysical Journal 123 (3), 548a, 2024 | | 2024 |
| Simulated mechanical testing of amyloid fibril structures using molecular dynamics simulations with enhanced sampling AR Ingwerson, G Grazioli Biophysical Journal 122 (3), 138a-139a, 2023 | | 2023 |
| Reconstructing atomistic structures from residue-level protein structure networks using artificial neural networks G Grazioli, V Duong, E Diessner, RW Martin, CT Butts Biophysical Journal 121 (3), 133a, 2022 | | 2022 |
| Algorithms for Parameterizing Network Hamiltonians for Simulations of Amyloid Fibril Self-assembly G Grazioli, Y Yu, MH Unhelkar, RW Martin, CT Butts Biophysical Journal 118 (3), 306a, 2020 | | 2020 |
| Geometric approach toward identifying stable parameters for network Hamiltonians governing amyloid fibril formation G Grazioli, Y Yu, C Butts ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 258, 2019 | | 2019 |
Ioan AndricioaeiProfessor of Chemistry, University of California, IrvineVerified email at uci.edu
