| CHARMM-GUI Membrane Builder toward realistic biological membrane simulations EL Wu, X Cheng, S Jo, H Rui, KC Song, EM Davlia-Contreras, ... Journal of Computational Chemistry, 2014 | 1944 | 2014 |
| CHARMM‐GUI 10 years for biomolecular modeling and simulation S Jo, X Cheng, J Lee, S Kim, SJ Park, DS Patel, AH Beaven, KI Lee, H Rui, ... Journal of computational chemistry 38 (15), 1114-1124, 2017 | 262 | 2017 |
| CHARMM-GUI PDB manipulator for advanced modeling and simulations of proteins containing nonstandard residues S Jo, X Cheng, SM Islam, L Huang, H Rui, A Zhu, HS Lee, Y Qi, W Han, ... Advances in protein chemistry and structural biology 96, 235-265, 2014 | 241 | 2014 |
| CHARMM All-Atom Additive Force Field for Sphingomyelin: Elucidation of Hydrogen Bonding and of Positive Curvature RM Venable, AJ Sodt, B Rogaski, H Rui, E Hatcher, AD MacKerell, ... Biophysical Journal 107 (1), 134-145, 2014 | 214 | 2014 |
| Cholesterol flip-flop: insights from free energy simulation studies S Jo, H Rui, JB Lim, JB Klauda, W Im The Journal of Physical Chemistry B 114 (42), 13342-13348, 2010 | 139 | 2010 |
| Molecular dynamics studies of ion permeation in VDAC H Rui, KI Lee, RW Pastor, W Im Biophysical journal 100 (3), 602-610, 2011 | 93 | 2011 |
| Structural, NMR Spectroscopic, and Computational Investigation of Hemin Loading in the Hemophore HasAp from Pseudomonas aeruginosa G Jepkorir, JC Rodríguez, H Rui, W Im, S Lovell, KP Battaile, AY Alontaga, ... Journal of the American Chemical Society 132 (28), 9857-9872, 2010 | 75 | 2010 |
| Mechanism of potassium ion uptake by the Na+/K+-ATPase JP Castillo, H Rui, D Basilio, A Das, B Roux, R Latorre, F Bezanilla, ... Nature communications 6 (1), 7622, 2015 | 74 | 2015 |
| Brownian dynamics simulations of ion transport through the VDAC KI Lee, H Rui, RW Pastor, W Im Biophysical journal 100 (3), 611-619, 2011 | 65 | 2011 |
| Gramicidin A channel formation induces local lipid redistribution I: experiment and simulation AH Beaven, AM Maer, AJ Sodt, H Rui, RW Pastor, OS Andersen, W Im Biophysical Journal 112 (6), 1185-1197, 2017 | 60 | 2017 |
| Web interface for brownian dynamics simulation of ion transport and its applications to beta‐barrel pores KI Lee, S Jo, H Rui, B Egwolf, B Roux, RW Pastor, W Im Journal of computational chemistry 33 (3), 331-339, 2012 | 47 | 2012 |
| Locking the elbow: Improved antibody Fab fragments as chaperones for structure determination LJ Bailey, KM Sheehy, PK Dominik, WG Liang, H Rui, M Clark, ... Journal of molecular biology 430 (3), 337-347, 2018 | 46 | 2018 |
| Conformational transitions and alternating-access mechanism in the sarcoplasmic reticulum calcium pump A Das, H Rui, R Nakamoto, B Roux Journal of Molecular Biology 429 (5), 647-666, 2017 | 45 | 2017 |
| Probing the U-shaped conformation of caveolin-1 in a bilayer H Rui, KT Root, J Lee, KJ Glover, W Im Biophysical journal 106 (6), 1371-1380, 2014 | 42 | 2014 |
| The selectivity of the Na+/K+-pump is controlled by binding site protonation and self-correcting occlusion H Rui, P Artigas, B Roux Elife 5, e16616, 2016 | 40 | 2016 |
| Modeling the CRL4A ligase complex to predict target protein ubiquitination induced by cereblon-recruiting PROTACs N Bai, KM Riching, A Makaju, H Wu, TM Acker, SC Ou, Y Zhang, X Shen, ... Journal of Biological Chemistry 298 (4), 2022 | 35 | 2022 |
| Protein dynamics and ion traffic in bacterioferritin H Rui, M Rivera, W Im Biochemistry 51 (49), 9900-9910, 2012 | 35 | 2012 |
| Chemical substitutions in the selectivity filter of potassium channels do not rule out constricted-like conformations for C-type inactivation J Li, J Ostmeyer, E Boulanger, H Rui, E Perozo, B Roux Proceedings of the National Academy of Sciences 114 (42), 11145-11150, 2017 | 31 | 2017 |
| Membrane tension, lipid adaptation, conformational changes, and energetics in MscL gating H Rui, R Kumar, W Im Biophysical journal 101 (3), 671-679, 2011 | 27 | 2011 |
| Protegrin‐1 orientation and physicochemical properties in membrane bilayers studied by potential of mean force calculations H Rui, W Im Journal of computational chemistry 31 (16), 2859-2867, 2010 | 26 | 2010 |
