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
3203 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
3007 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
485 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
250 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
230 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
221 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
159 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
141 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
130 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
115 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 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
85 2016 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 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
78 2015 Density functional calculations of electronic structure and magnetic properties of the hydrocarbon 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 
Vijay PandeAndreessen Horowitz, Stanford UniversityAdresse e-mail validée de stanford.edu