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 | 3167 | 2015 |
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 | 2998 | 2006 |
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 | 483 | 2003 |
Multiplexed-replica exchange molecular dynamics method for protein folding simulation YM Rhee, VS Pande Biophysical journal 84 (2), 775-786, 2003 | 359 | 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 (1), 43-69, 2005 | 313 | 2005 |
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 | 251 | 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 | 228 | 2007 |
Poly-cyclodextrin and poly-paclitaxel nano-assembly for anticancer therapy R Namgung, Y Mi Lee, J Kim, Y Jang, BH Lee, IS Kim, P Sokkar, YM Rhee, ... Nature communications 5 (1), 3702, 2014 | 216 | 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 | 165 | 2007 |
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 | 156 | 2015 |
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 | 137 | 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 | 129 | 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 | 128 | 2005 |
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 48 (50), 11446-11450, 2011 | 114 | 2011 |
Phys. Chem. Chem. Phys. Y Shao, LF Molnar, Y Jung, J Kussmann, C Ochsenfeld, ST Brown, ... Phys. Chem. Chem. Phys 8, 3172, 2006 | 89 | 2006 |
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 | 83 | 2005 |
Electric field keeps chromophore planar and produces high yield fluorescence in green fluorescent protein JW Park, YM Rhee Journal of the American Chemical Society 138 (41), 13619-13629, 2016 | 82 | 2016 |
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 | 81 | 2012 |
Highly sensitive and selective biosensors based on organic transistors functionalized with cucurbit [6] uril derivatives M Jang, H Kim, S Lee, HW Kim, JK Khedkar, YM Rhee, I Hwang, K Kim, ... Advanced Functional Materials 25 (30), 4882-4888, 2015 | 77 | 2015 |
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—Condensed Matter and Materials Physics 83 (21), 214510, 2011 | 69 | 2011 |