| Polarizable force field for peptides and proteins based on the classical drude oscillator PEM Lopes, J Huang, J Shim, Y Luo, H Li, B Roux, AD MacKerell Jr Journal of chemical theory and computation 9 (12), 5430-5449, 2013 | 409 | 2013 |
| Simulation of osmotic pressure in concentrated aqueous salt solutions Y Luo, B Roux The journal of physical chemistry letters 1 (1), 183-189, 2010 | 330 | 2010 |
| Simulations of anionic lipid membranes: development of interaction-specific ion parameters and validation using NMR data RM Venable, Y Luo, K Gawrisch, B Roux, RW Pastor The journal of physical chemistry B 117 (35), 10183-10192, 2013 | 206 | 2013 |
| A mechanism for the activation of the mechanosensitive Piezo1 channel by the small molecule Yoda1 WM Botello-Smith, W Jiang, H Zhang, AD Ozkan, YC Lin, CN Pham, ... Nature communications 10 (1), 4503, 2019 | 166 | 2019 |
| Generalized scalable multiple copy algorithms for molecular dynamics simulations in NAMD W Jiang, JC Phillips, L Huang, M Fajer, Y Meng, JC Gumbart, Y Luo, ... Computer physics communications 185 (3), 908-916, 2014 | 134 | 2014 |
| Probing the gating mechanism of the mechanosensitive channel Piezo1 with the small molecule Yoda1 JJ Lacroix, WM Botello-Smith, Y Luo Nature communications 9 (1), 2029, 2018 | 129 | 2018 |
| Simulation study of ion pairing in concentrated aqueous salt solutions with a polarizable force field Y Luo, W Jiang, H Yu, AD MacKerell, B Roux Faraday discussions 160, 135-149, 2013 | 120 | 2013 |
| UBE3A regulates synaptic plasticity and learning and memory by controlling SK2 channel endocytosis J Sun, G Zhu, Y Liu, S Standley, A Ji, R Tunuguntla, Y Wang, C Claus, ... Cell reports 12 (3), 449-461, 2015 | 116 | 2015 |
| Computer simulations of water flux and salt permeability of the reverse osmosis FT-30 aromatic polyamide membrane Y Luo, E Harder, RS Faibish, B Roux Journal of membrane science 384 (1-2), 1-9, 2011 | 106 | 2011 |
| Calculation of free energy landscape in multi-dimensions with Hamiltonian-exchange umbrella sampling on petascale supercomputer W Jiang, Y Luo, L Maragliano, B Roux Journal of Chemical Theory and Computation 8 (11), 4672-4680, 2012 | 102 | 2012 |
| Mechanism of gating by calcium in connexin hemichannels W Lopez, J Ramachandran, A Alsamarah, Y Luo, AL Harris, JE Contreras Proceedings of the National Academy of Sciences 113 (49), E7986-E7995, 2016 | 96 | 2016 |
| PRMT1-mediated FLT3 arginine methylation promotes maintenance of FLT3-ITD+ acute myeloid leukemia X He, Y Zhu, YC Lin, M Li, J Du, H Dong, J Sun, L Zhu, H Wang, Z Ding, ... Blood, The Journal of the American Society of Hematology 134 (6), 548-560, 2019 | 61 | 2019 |
| Structural basis of a protein partner switch that regulates the general stress response of α-proteobacteria J Herrou, G Rotskoff, Y Luo, B Roux, S Crosson Proceedings of the National Academy of Sciences 109 (21), E1415-E1423, 2012 | 53 | 2012 |
| Can relative binding free energy predict selectivity of reversible covalent inhibitors? P Chatterjee, WM Botello-Smith, H Zhang, L Qian, A Alsamarah, D Kent, ... Journal of the American Chemical Society 139 (49), 17945-17952, 2017 | 49 | 2017 |
| Ion selectivity of α-hemolysin with β-cyclodextrin adapter. II. Multi-ion effects studied with grand canonical Monte Carlo/Brownian dynamics simulations B Egwolf, Y Luo, DE Walters, B Roux The journal of physical chemistry B 114 (8), 2901-2909, 2010 | 48 | 2010 |
| Molecular mechanism of resveratrol’s lipid membrane protection Q Fei, D Kent, WM Botello-Smith, F Nur, S Nur, A Alsamarah, P Chatterjee, ... Scientific reports 8 (1), 1587, 2018 | 45 | 2018 |
| Ranking reversible covalent drugs: from free energy perturbation to fragment docking H Zhang, W Jiang, P Chatterjee, Y Luo Journal of chemical information and modeling 59 (5), 2093-2102, 2019 | 44 | 2019 |
| Ion selectivity of α-hemolysin with a β-cyclodextrin adapter. I. Single ion potential of mean force and diffusion coefficient Y Luo, B Egwolf, DE Walters, B Roux The Journal of Physical Chemistry B 114 (2), 952-958, 2010 | 42 | 2010 |
| Flexible computational docking studies of new aminoglycosides targeting RNA 16S bacterial ribosome site F Barbault, B Ren, J Rebehmed, C Teixeira, Y Luo, O Smila-Castro, ... European journal of medicinal chemistry 43 (8), 1648-1656, 2008 | 34 | 2008 |
| Robust determination of protein allosteric signaling pathways WM Botello-Smith, Y Luo Journal of chemical theory and computation 15 (4), 2116-2126, 2019 | 33 | 2019 |
Benoit RouxProfessor of Biochemistry, The university of ChicagoVerified email at uchicago.edu
