Assessment of network module identification across complex diseases S Choobdar, ME Ahsen, J Crawford, M Tomasoni, T Fang, D Lamparter, ... Nature methods 16 (9), 843-852, 2019 | 251 | 2019 |
Modularity optimization by conformational space annealing J Lee, SP Gross, J Lee Physical Review E—Statistical, Nonlinear, and Soft Matter Physics 85 (5 …, 2012 | 99 | 2012 |
AK-score: accurate protein-ligand binding affinity prediction using an ensemble of 3D-convolutional neural networks Y Kwon, WH Shin, J Ko, J Lee International journal of molecular sciences 21 (22), 8424, 2020 | 83 | 2020 |
Constant pH molecular dynamics in explicit solvent with enveloping distribution sampling and Hamiltonian exchange J Lee, BT Miller, A Damjanovic, BR Brooks Journal of Chemical Theory and Computation 10 (7), 2738–2750, 2014 | 82 | 2014 |
Random forest-based protein model quality assessment (RFMQA) using structural features and potential energy terms B Manavalan, J Lee, J Lee PloS one 9 (9), e106542, 2014 | 80 | 2014 |
Retrosynthetic reaction pathway prediction through neural machine translation of atomic environments UV Ucak, I Ashyrmamatov, J Ko, J Lee Nature communications 13 (1), 1186, 2022 | 61 | 2022 |
Can AlphaFold2 predict protein-peptide complex structures accurately? J Ko, J Lee BioRxiv, 2021.07. 27.453972, 2021 | 60 | 2021 |
De novo protein structure prediction by dynamic fragment assembly and conformational space annealing J Lee, J Lee, TN Sasaki, M Sasai, C Seok, J Lee Proteins: Structure, Function, and Bioinformatics 79 (8), 2403-2417, 2011 | 59 | 2011 |
LigDockCSA: Protein–ligand docking using conformational space annealing WH Shin, L Heo, J Lee, J Ko, C Seok, J Lee Journal of Computational Chemistry 32 (15), 3226–3232, 2011 | 54 | 2011 |
What stabilizes close arginine pairing in proteins? D Lee, J Lee, C Seok Phys. Chem. Chem. Phys. 15, 5844-5853, 2013 | 49 | 2013 |
A statistical rescoring scheme for protein–ligand docking: Consideration of entropic effect J Lee, C Seok Proteins: Structure, Function, and Bioinformatics 70 (3), 1074-1083, 2008 | 48 | 2008 |
MolFinder: an evolutionary algorithm for the global optimization of molecular properties and the extensive exploration of chemical space using SMILES Y Kwon, J Lee Journal of cheminformatics 13 (1), 24, 2021 | 45 | 2021 |
Improved network community structure improves function prediction J Lee, SP Gross, J Lee Scientific Reports 3, 02197, 2013 | 45 | 2013 |
Protein structure modeling for CASP10 by multiple layers of global optimization K Joo, J Lee, S Sim, SY Lee, K Lee, S Heo, IH Lee, SJ Lee, J Lee Proteins: Structure, Function, and Bioinformatics 82, 188-195, 2014 | 42 | 2014 |
Finding multiple reaction pathways via global optimization of action J Lee, IH Lee, IS Joung, J Lee, BR Brooks Nature Communications 8, 15443, 2017 | 41 | 2017 |
Cooperativity and Specificity of Cys2His2 Zinc Finger Protein−DNA Interactions: A Molecular Dynamics Simulation Study J Lee, JS Kim, C Seok The Journal of Physical Chemistry B 114 (22), 7662-7671, 2010 | 41 | 2010 |
Prediction of molecular electronic transitions using random forests B Kang, C Seok, J Lee Journal of Chemical Information and Modeling 60 (12), 5984-5994, 2020 | 40 | 2020 |
Computational scheme for pH‐dependent binding free energy calculation with explicit solvent J Lee, BT Miller, BR Brooks Protein Science 25 (1), 231-243, 2016 | 40 | 2016 |
Hidden Information Revealed by Optimal Community Structure from a Protein-Complex Bipartite Network Improves Protein Function Prediction J Lee, J Lee PLoS ONE 8 (4), e60372, 2013 | 39 | 2013 |
Template based protein structure modeling by global optimization in CASP 11 K Joo, IS Joung, SY Lee, JY Kim, Q Cheng, B Manavalan, JY Joung, ... Proteins: Structure, Function, and Bioinformatics 84, 221-232, 2016 | 38 | 2016 |