| Advances in methods and algorithms in a modern quantum chemistry program package Y Shao, LF Molnar, Y Jung, J Kussmann, C Ochsenfeld, ST Brown, ... Physical Chemistry Chemical Physics 8 (27), 3172-3191, 2006 | 2632 | 2006 |
| Advances in molecular quantum chemistry contained in the Q-Chem 4 program package Y Shao, Z Gan, E Epifanovsky, ATB Gilbert, M Wormit, J Kussmann, ... Molecular Physics 113 (2), 184-215, 2015 | 1993 | 2015 |
| Atomistic protein folding simulations on the submillisecond time scale using worldwide distributed computing VS Pande, I Baker, J Chapman, SP Elmer, S Khaliq, SM Larson, YM Rhee, ... Biopolymers: Original Research on Biomolecules 68 (1), 91-109, 2003 | 458 | 2003 |
| How well can simulation predict protein folding kinetics and thermodynamics? CD Snow, EJ Sorin, YM Rhee, VS Pande Annu. Rev. Biophys. Biomol. Struct. 34, 43-69, 2005 | 312 | 2005 |
| Multiplexed-replica exchange molecular dynamics method for protein folding simulation YM Rhee, VS Pande Biophysical journal 84 (2), 775-786, 2003 | 312 | 2003 |
| Simulations of the role of water in the protein-folding mechanism YM Rhee, EJ Sorin, G Jayachandran, E Lindahl, VS Pande Proceedings of the National Academy of Sciences 101 (17), 6456-6461, 2004 | 219 | 2004 |
| Scaled second-order perturbation corrections to configuration interaction singles: Efficient and reliable excitation energy methods YM Rhee, M Head-Gordon The Journal of Physical Chemistry A 111 (24), 5314-5326, 2007 | 194 | 2007 |
| 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 Liu DA Case, TA Darden, TE Cheatham III, CL Simmerling, J Wang, RE Duke, ... J., Wu, X., Brozell, SR, Steinbrecher, T., Gohlke, H., Cai, Q., Ye, X., Wang …, 2012 | 169* | 2012 |
| Poly-cyclodextrin and poly-paclitaxel nano-assembly for anticancer therapy R Namgung, YM Lee, J Kim, Y Jang, BH Lee, IS Kim, P Sokkar, YM Rhee, ... Nature communications 5 (1), 1-12, 2014 | 148 | 2014 |
| An improved algorithm for analytical gradient evaluation in resolution‐of‐the‐identity second‐order Møller‐Plesset perturbation theory: Application to alanine tetrapeptide … RA Distasio Jr, RP Steele, YM Rhee, Y Shao, M Head‐Gordon Journal of Computational Chemistry 28 (5), 839-856, 2007 | 134 | 2007 |
| Charged polycyclic aromatic hydrocarbon clusters and the galactic extended red emission YM Rhee, TJ Lee, MS Gudipati, LJ Allamandola, M Head-Gordon Proceedings of the National Academy of Sciences 104 (13), 5274-5278, 2007 | 116 | 2007 |
| Insights into nucleic acid conformational dynamics from massively parallel stochastic simulations EJ Sorin, YM Rhee, BJ Nakatani, VS Pande Biophysical journal 85 (2), 790-803, 2003 | 116 | 2003 |
| Does water play a structural role in the folding of small nucleic acids? EJ Sorin, YM Rhee, VS Pande Biophysical journal 88 (4), 2516-2524, 2005 | 115 | 2005 |
| A structural remedy toward bright dipolar fluorophores in aqueous media S Singha, D Kim, B Roy, S Sambasivan, H Moon, AS Rao, JY Kim, T Joo, ... Chemical science 6 (7), 4335-4342, 2015 | 99 | 2015 |
| Characterization of Vinylgold Intermediates: Gold‐Mediated Cyclization of Acetylenic Amides OA Egorova, H Seo, Y Kim, D Moon, YM Rhee, KH Ahn Angewandte Chemie International Edition 50 (48), 11446-11450, 2011 | 93 | 2011 |
| All-atom semiclassical dynamics study of quantum coherence in photosynthetic Fenna–Matthews–Olson complex HW Kim, A Kelly, JW Park, YM Rhee Journal of the American Chemical Society 134 (28), 11640-11651, 2012 | 71 | 2012 |
| Density functional calculations of electronic structure and magnetic properties of the hydrocarbon picene superconductor near the metal-insulator transition M Kim, BI Min, G Lee, HJ Kwon, YM Rhee, JH Shim Physical Review B 83 (21), 214510, 2011 | 69 | 2011 |
| One-dimensional reaction coordinate and the corresponding potential of mean force from commitment probability distribution YM Rhee, VS Pande The Journal of Physical Chemistry B 109 (14), 6780-6786, 2005 | 67 | 2005 |
| Phys. Chem. Chem. Phys. Y Shao, LF Molnar, Y Jung, J Kussmann, C Ochsenfeld, ST Brown, ... | 61 | 2006 |
| The solvation interface is a determining factor in peptide conformational preferences EJ Sorin, YM Rhee, MR Shirts, VS Pande Journal of molecular biology 356 (1), 248-256, 2006 | 59 | 2006 |
