Non‐covalent self‐assembly and covalent polymerization co‐contribute to polydopamine formation S Hong, YS Na, S Choi, IT Song, WY Kim, H Lee Advanced Functional Materials 22 (22), 4711-4717, 2012 | 1275 | 2012 |
Prediction of very large values of magnetoresistance in a graphene nanoribbon device WY Kim, KS Kim Nature nanotechnology 3 (7), 408-412, 2008 | 765 | 2008 |
Fast DNA sequencing with a graphene-based nanochannel device SK Min, WY Kim, Y Cho, KS Kim Nature nanotechnology 6 (3), 162-165, 2011 | 634 | 2011 |
Near-field focusing and magnification through self-assembled nanoscale spherical lenses JY Lee, BH Hong, WY Kim, SK Min, Y Kim, MV Jouravlev, R Bose, KS Kim, ... Nature 460 (7254), 498-501, 2009 | 434 | 2009 |
Molecular generative model based on conditional variational autoencoder for de novo molecular design J Lim, S Ryu, JW Kim, WY Kim Journal of cheminformatics 10, 1-9, 2018 | 378 | 2018 |
Predicting Drug–Target Interaction Using a Novel Graph Neural Network with 3D Structure-Embedded Graph Representation J Lim, S Ryu, K Park, YJ Choe, J Ham, WY Kim Journal of chemical information and modeling 59 (9), 3981-3988, 2019 | 357 | 2019 |
Chromium porphyrin arrays as spintronic devices WJ Cho, Y Cho, SK Min, WY Kim, KS Kim Journal of the American Chemical Society 133 (24), 9364-9369, 2011 | 200 | 2011 |
Insights into the Structures, Energetics, and Vibrations of Monovalent Cation−(Water)1-6 Clusters HM Lee, P Tarakeshwar, J Park, MR Kołaski, YJ Yoon, HB Yi, WY Kim, ... The Journal of Physical Chemistry A 108 (15), 2949-2958, 2004 | 198 | 2004 |
Tuning molecular orbitals in molecular electronics and spintronics WY Kim, KS Kim Accounts of chemical research 43 (1), 111-120, 2010 | 171 | 2010 |
Scaffold-based molecular design with a graph generative model J Lim, SY Hwang, S Moon, S Kim, WY Kim Chemical Science 11 (4), 1153-1164, 2020 | 153 | 2020 |
Application of quantum chemistry to nanotechnology: electron and spin transport in molecular devices WY Kim, YC Choi, SK Min, Y Cho, KS Kim Chemical Society Reviews 38 (8), 2319-2333, 2009 | 147 | 2009 |
Reversible disorder-order transitions in atomic crystal nucleation S Jeon, T Heo, SY Hwang, J Ciston, KC Bustillo, BW Reed, J Ham, ... Science 371 (6528), 498-503, 2021 | 139 | 2021 |
A Bayesian graph convolutional network for reliable prediction of molecular properties with uncertainty quantification S Ryu, Y Kwon, WY Kim Chemical Science 10 (36), 8438-8446, 2019 | 121 | 2019 |
Composition-controlled PtCo alloy nanocubes with tuned electrocatalytic activity for oxygen reduction SI Choi, SU Lee, WY Kim, R Choi, K Hong, KM Nam, SW Han, JT Park ACS applied materials & interfaces 4 (11), 6228-6234, 2012 | 115 | 2012 |
Deeply learning molecular structure-property relationships using attention-and gate-augmented graph convolutional network S Ryu, J Lim, SH Hong, WY Kim arXiv preprint arXiv:1805.10988, 2018 | 108* | 2018 |
Efficient prediction of reaction paths through molecular graph and reaction network analysis Y Kim, JW Kim, Z Kim, WY Kim Chemical science 9 (4), 825-835, 2018 | 107 | 2018 |
PIGNet: A physics-informed deep learning model toward generalized drug-target interaction predictions S Moon, W Zhung, S Yang, J Lim, WY Kim Chemical Science 13, 3661-3673, 2022 | 101 | 2022 |
Carbon nanotube, graphene, nanowire, and molecule‐based electron and spin transport phenomena using the nonequilibrium Green's function method at the level of first principles … WY Kim, KS Kim Journal of computational chemistry 29 (7), 1073-1083, 2008 | 97 | 2008 |
Noncovalent interactions of DNA bases with naphthalene and graphene Y Cho, SK Min, J Yun, WY Kim, A Tkatchenko, KS Kim Journal of Chemical Theory and Computation 9 (4), 2090-2096, 2013 | 83 | 2013 |
Negative differential resistance of carbon nanotube electrodes with asymmetric coupling phenomena WY Kim, SK Kwon, KS Kim Physical Review B 76 (3), 033415, 2007 | 83 | 2007 |