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 |
|
Show low-probability matches. |