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Kenneth Borrelli, Ph.D. - Publications

Affiliations: 
2009 Biomedical Engineering Washington University, Saint Louis, St. Louis, MO 
Area:
General Biophysics, Molecular Biology, Biochemistry
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9 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2021 Miller EB, Murphy RB, Sindhikara D, Borrelli KW, Grisewood MJ, Ranalli F, Dixon SL, Jerome S, Boyles NA, Day T, Ghanakota P, Mondal S, Rafi SB, Troast DM, Abel R, et al. Reliable and Accurate Solution to the Induced Fit Docking Problem for Protein-Ligand Binding. Journal of Chemical Theory and Computation. PMID 33779166 DOI: 10.1021/acs.jctc.1c00136  0.368
2020 Robertson MJ, van Zundert GCP, Borrelli K, Skiniotis G. GemSpot: A Pipeline for Robust Modeling of Ligands into Cryo-EM Maps. Structure (London, England : 1993). PMID 32413291 DOI: 10.1016/J.Str.2020.04.018  0.313
2018 van Zundert G, Hudson BM, de Oliveira S, Keedy DA, Fonseca R, Heliou A, Suresh P, Borrelli K, Day T, Fraser J, van den Bedem H. qFit-ligand reveals widespread conformational heterogeneity of drug-like molecules in X-ray electron density maps. Journal of Medicinal Chemistry. PMID 30457858 DOI: 10.2210/Pdb6Dmj/Pdb  0.348
2015 Ferreira P, Hernández-Ortega A, Lucas F, Carro J, Herguedas B, Borrelli KW, Guallar V, Martínez AT, Medina M. Aromatic stacking interactions govern catalysis in aryl-alcohol oxidase. The Febs Journal. PMID 25639975 DOI: 10.1111/Febs.13221  0.509
2011 Hernández-Ortega A, Borrelli K, Ferreira P, Medina M, Martínez AT, Guallar V. Substrate diffusion and oxidation in GMC oxidoreductases: an experimental and computational study on fungal aryl-alcohol oxidase. The Biochemical Journal. 436: 341-50. PMID 21375505 DOI: 10.1042/Bj20102090  0.519
2010 Borrelli KW, Cossins B, Guallar V. Exploring hierarchical refinement techniques for induced fit docking with protein and ligand flexibility. Journal of Computational Chemistry. 31: 1224-35. PMID 19885871 DOI: 10.1002/Jcc.21409  0.524
2009 Guallar V, Lu C, Borrelli K, Egawa T, Yeh SR. Ligand migration in the truncated hemoglobin-II from Mycobacterium tuberculosis: the role of G8 tryptophan. The Journal of Biological Chemistry. 284: 3106-16. PMID 19019831 DOI: 10.1074/Jbc.M806183200  0.5
2005 Borrelli KW, Vitalis A, Alcantara R, Guallar V. PELE:  Protein Energy Landscape Exploration. A Novel Monte Carlo Based Technique. Journal of Chemical Theory and Computation. 1: 1304-11. PMID 26631674 DOI: 10.1021/Ct0501811  0.508
2005 Guallar V, Borrelli KW. A binding mechanism in protein-nucleotide interactions: implication for U1A RNA binding. Proceedings of the National Academy of Sciences of the United States of America. 102: 3954-9. PMID 15753311 DOI: 10.1073/Pnas.0500888102  0.484
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