| Year |
Citation |
Score |
| 2023 |
Balius TE, Tan YS, Chakrabarti M. DOCK 6: Incorporating hierarchical traversal through precomputed ligand conformations to enable large-scale docking. Journal of Computational Chemistry. 45: 47-63. PMID 37743732 DOI: 10.1002/jcc.27218 |
0.43 |
|
| 2021 |
Bender BJ, Gahbauer S, Luttens A, Lyu J, Webb CM, Stein RM, Fink EA, Balius TE, Carlsson J, Irwin JJ, Shoichet BK. Publisher Correction: A practical guide to large-scale docking. Nature Protocols. PMID 34887579 DOI: 10.1038/s41596-021-00650-x |
0.578 |
|
| 2021 |
Bender BJ, Gahbauer S, Luttens A, Lyu J, Webb CM, Stein RM, Fink EA, Balius TE, Carlsson J, Irwin JJ, Shoichet BK. A practical guide to large-scale docking. Nature Protocols. PMID 34561691 DOI: 10.1038/s41596-021-00597-z |
0.648 |
|
| 2021 |
Kamenik AS, Singh I, Lak P, Balius TE, Liedl KR, Shoichet BK. Energy penalties enhance flexible receptor docking in a model cavity. Proceedings of the National Academy of Sciences of the United States of America. 118. PMID 34475217 DOI: 10.1073/pnas.2106195118 |
0.596 |
|
| 2021 |
Stein RM, Yang Y, Balius TE, O'Meara MJ, Lyu J, Young J, Tang K, Shoichet BK, Irwin JJ. Property-Unmatched Decoys in Docking Benchmarks. Journal of Chemical Information and Modeling. PMID 33494610 DOI: 10.1021/acs.jcim.0c00598 |
0.521 |
|
| 2020 |
Wan X, Yang T, Cuesta A, Pang X, Balius TE, Irwin J, Shoichet BK, Taunton J. Discovery of Lysine-Targeted eIF4E Inhibitors through Covalent Docking. Journal of the American Chemical Society. PMID 32105459 DOI: 10.1021/Jacs.9B10377 |
0.514 |
|
| 2019 |
Lyu J, Wang S, Balius TE, Singh I, Levit A, Moroz YS, O'Meara MJ, Che T, Algaa E, Tolmachova K, Tolmachev AA, Shoichet BK, Roth BL, Irwin JJ. Ultra-large library docking for discovering new chemotypes. Nature. PMID 30728502 DOI: 10.1038/S41586-019-0917-9 |
0.611 |
|
| 2017 |
Allen WJ, Fochtman BC, Balius TE, Rizzo RC. Customizable de novo design strategies for DOCK: Application to HIVgp41 and other therapeutic targets. Journal of Computational Chemistry. PMID 28940386 DOI: 10.1002/Jcc.25052 |
0.356 |
|
| 2017 |
Balius TE, Fischer M, Stein RM, Adler TB, Nguyen CN, Cruz A, Gilson MK, Kurtzman T, Shoichet BK. Testing inhomogeneous solvation theory in structure-based ligand discovery. Proceedings of the National Academy of Sciences of the United States of America. PMID 28760952 DOI: 10.1073/Pnas.1703287114 |
0.641 |
|
| 2015 |
Allen WJ, Balius TE, Mukherjee S, Brozell SR, Moustakas DT, Lang PT, Case DA, Kuntz ID, Rizzo RC. DOCK 6: Impact of new features and current docking performance. Journal of Computational Chemistry. 36: 1132-56. PMID 25914306 DOI: 10.1002/Jcc.23905 |
0.531 |
|
| 2015 |
Merski M, Fischer M, Balius TE, Eidam O, Shoichet BK. Homologous ligands accommodated by discrete conformations of a buried cavity. Proceedings of the National Academy of Sciences of the United States of America. 112: 5039-44. PMID 25847998 DOI: 10.1073/Pnas.1500806112 |
0.616 |
|
| 2015 |
Merski M, Fischer M, Balius TE, Eidam O, Shoichet BK. Correction: Homologous ligands accommodated by discrete conformations of a buried cavity (Proceedings of the National Academy of Sciences of the United States of America (2015) 112 (5039-5044) DOI: 10.1073/pnas.1500806112) Proceedings of the National Academy of Sciences of the United States of America. 112: E4971. DOI: 10.1073/pnas.1514835112 |
0.481 |
|
| 2013 |
Balius TE, Allen WJ, Mukherjee S, Rizzo RC. Grid-based molecular footprint comparison method for docking and de novo design: application to HIVgp41. Journal of Computational Chemistry. 34: 1226-40. PMID 23436713 DOI: 10.1002/Jcc.23245 |
0.341 |
|
| 2012 |
Brozell SR, Mukherjee S, Balius TE, Roe DR, Case DA, Rizzo RC. Evaluation of DOCK 6 as a pose generation and database enrichment tool. Journal of Computer-Aided Molecular Design. 26: 749-73. PMID 22569593 DOI: 10.1007/S10822-012-9565-Y |
0.321 |
|
| 2011 |
Balius TE, Mukherjee S, Rizzo RC. Implementation and evaluation of a docking-rescoring method using molecular footprint comparisons. Journal of Computational Chemistry. 32: 2273-89. PMID 21541962 DOI: 10.1002/Jcc.21814 |
0.393 |
|
| 2010 |
Mukherjee S, Balius TE, Rizzo RC. Docking validation resources: protein family and ligand flexibility experiments. Journal of Chemical Information and Modeling. 50: 1986-2000. PMID 21033739 DOI: 10.1021/Ci1001982 |
0.377 |
|
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