| Year |
Citation |
Score |
| 2023 |
Jiang W, Wijerathne TD, Zhang H, Lin YC, Jo S, Im W, Lacroix JJ, Luo YL. Structural and thermodynamic framework for PIEZO1 modulation by small molecules. Proceedings of the National Academy of Sciences of the United States of America. 120: e2310933120. PMID 38060566 DOI: 10.1073/pnas.2310933120 |
0.436 |
|
| 2020 |
Im W, Banavali N, Luo YL. Celebrating Benoît Roux's 60th birthday: quantifying biology at the membrane. Journal of Computational Chemistry. 41: 385-386. PMID 31943239 DOI: 10.1002/Jcc.26140 |
0.342 |
|
| 2019 |
Botello-Smith WM, Jiang W, Zhang H, Ozkan AD, Lin YC, Pham CN, Lacroix JJ, Luo Y. A mechanism for the activation of the mechanosensitive Piezo1 channel by the small molecule Yoda1. Nature Communications. 10: 4503. PMID 31582801 DOI: 10.1038/S41467-019-12501-1 |
0.336 |
|
| 2016 |
Luo Y, Rossi AR, Harris AL. Computational Studies of Molecular Permeation through Connexin26 Channels. Biophysical Journal. 110: 584-99. PMID 26840724 DOI: 10.1016/J.Bpj.2015.11.3528 |
0.327 |
|
| 2016 |
Chatterjee P, Alsamarah A, Kent D, Qian L, Wych D, Pham CN, Avetisyan A, Standley S, Baudry M, Luo Y. A Molecular Dynamics Study of Michaelis Complex for Designing Selective Transition State Analog Inhibitors for Cysteine Protease calpain-2 Biophysical Journal. 110: 545a. DOI: 10.1016/J.Bpj.2015.11.2916 |
0.316 |
|
| 2015 |
Alsamarah A, LaCuran AE, Oelschlaeger P, Hao J, Luo Y. Uncovering Molecular Bases Underlying Bone Morphogenetic Protein Receptor Inhibitor Selectivity. Plos One. 10: e0132221. PMID 26133550 DOI: 10.1371/Journal.Pone.0132221 |
0.307 |
|
| 2014 |
Jiang W, Phillips JC, Huang L, Fajer M, Meng Y, Gumbart JC, Luo Y, Schulten K, Roux B. Generalized Scalable Multiple Copy Algorithms for Molecular Dynamics Simulations in NAMD. Computer Physics Communications. 185: 908-916. PMID 24944348 DOI: 10.1016/J.Cpc.2013.12.014 |
0.613 |
|
| 2014 |
Lopes PE, Huang J, Shim J, Luo Y, Li H, Savelyev A, Patel D, He X, Roux B, MacKerell AD. Development of a Polarizable Force Field for Macromolecules Based on the Classical Drude Oscillator Biophysical Journal. 106: 43a. DOI: 10.1016/J.Bpj.2013.11.318 |
0.475 |
|
| 2014 |
Jiang W, Phillips J, Huang L, Fajer M, Meng Y, Gumbart JC, luo y, Schulten K, roux b. Generalized Scalable Multiple Copy Algorithms for Biological Molecular Dynamics Simulations in NAMD Biophysical Journal. 106: 412a. DOI: 10.1016/J.Bpj.2013.11.2316 |
0.614 |
|
| 2013 |
Lopes PE, Huang J, Shim J, Luo Y, Li H, Roux B, Mackerell AD. Force Field for Peptides and Proteins based on the Classical Drude Oscillator. Journal of Chemical Theory and Computation. 9: 5430-5449. PMID 24459460 DOI: 10.1021/Ct400781B |
0.474 |
|
| 2013 |
Venable RM, Luo Y, Gawrisch K, Roux B, Pastor RW. Simulations of anionic lipid membranes: Development of interaction-specific ion parameters and validation using NMR data Journal of Physical Chemistry B. 117: 10183-10192. PMID 23924441 DOI: 10.1021/Jp401512Z |
0.462 |
|
| 2013 |
Luo Y, Jiang W, Yu H, MacKerell AD, Roux B. Simulation study of ion pairing in concentrated aqueous salt solutions with a polarizable force field. Faraday Discussions. 160: 135-49; discussion 2. PMID 23795497 DOI: 10.1039/C2Fd20068F |
0.565 |
|
| 2012 |
Jiang W, Luo Y, Maragliano L, Roux B. Calculation of Free Energy Landscape in Multi-Dimensions with Hamiltonian-Exchange Umbrella Sampling on Petascale Supercomputer. Journal of Chemical Theory and Computation. 8: 4672-4680. PMID 26605623 DOI: 10.1021/Ct300468G |
0.484 |
|
| 2012 |
Herrou J, Rotskoff G, Luo Y, Roux B, Crosson S. Structural basis of a protein partner switch that regulates the general stress response of α-proteobacteria. Proceedings of the National Academy of Sciences of the United States of America. 109: E1415-23. PMID 22550172 DOI: 10.1073/Pnas.1116887109 |
0.441 |
|
| 2011 |
Luo Y, Harder E, Faibish RS, Roux B. Computer simulations of water flux and salt permeability of the reverse osmosis FT-30 aromatic polyamide membrane Journal of Membrane Science. 384: 1-9. DOI: 10.1016/J.Memsci.2011.08.057 |
0.462 |
|
| 2010 |
Egwolf B, Luo Y, Walters DE, Roux B. Ion selectivity of alpha-hemolysin with beta-cyclodextrin adapter. II. Multi-ion effects studied with grand canonical Monte Carlo/Brownian dynamics simulations. The Journal of Physical Chemistry. B. 114: 2901-9. PMID 20146515 DOI: 10.1021/Jp906791B |
0.461 |
|
| 2010 |
Luo Y, Egwolf B, Walters DE, Roux B. Ion selectivity of alpha-hemolysin with a beta-cyclodextrin adapter. I. Single ion potential of mean force and diffusion coefficient. The Journal of Physical Chemistry. B. 114: 952-8. PMID 20041673 DOI: 10.1021/Jp906790F |
0.47 |
|
| 2010 |
Luo Y, Roux B. Simulation of osmotic pressure in concentrated aqueous salt solutions Journal of Physical Chemistry Letters. 1: 183-189. DOI: 10.1021/Jz900079W |
0.459 |
|
| 2009 |
Egwolf B, Luo Y, Walters DE, Roux B. Computational Study on the Ion Selectivity of Modified Alpha-Hemolysin Channels Biophysical Journal. 96: 662a. DOI: 10.1016/J.Bpj.2008.12.3499 |
0.48 |
|
| 2007 |
Gourmala C, Luo Y, Barbault F, Zhang Y, Ghalem S, Maurel F, Fan B. Elucidation of the LewisX-LewisX carbohydrate interaction with molecular dynamics simulations : A glycosynapse model Journal of Molecular Structure-Theochem. 821: 22-29. DOI: 10.1016/J.Theochem.2007.06.027 |
0.32 |
|
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