Year |
Citation |
Score |
2015 |
Davare MA, Vellore NA, Wagner JP, Eide CA, Goodman JR, Drilon A, Deininger MW, O'Hare T, Druker BJ. Structural insight into selectivity and resistance profiles of ROS1 tyrosine kinase inhibitors. Proceedings of the National Academy of Sciences of the United States of America. PMID 26372962 DOI: 10.1073/Pnas.1515281112 |
0.311 |
|
2014 |
Vellore NA, Baron R. Epigenetic molecular recognition: a biomolecular modeling perspective. Chemmedchem. 9: 484-94. PMID 24616246 DOI: 10.1002/Cmdc.201300510 |
0.304 |
|
2014 |
Heaton WL, Eiring AM, Vellore NA, Resetca D, Haftchenary S, Rosa D, Ali AM, Senina AV, Pomicter AD, Page BD, Kraft IL, Reynolds KR, Wilson DJ, Baron R, O'Hare T, et al. Design, Optimization, and Pre-Clinical Evaluation of Direct, Mechanism-Based STAT3 Inhibitors for Treating Myeloid Disorders Blood. 124: 4816-4816. DOI: 10.1182/Blood.V124.21.4816.4816 |
0.302 |
|
2014 |
Robertson JC, Hurley NC, Kneller JM, Vellore NA, Mattevi A, Baron R. A Complete Configurational Ensemble Approach to Expand Lsd1/Corest Druggability Biophysical Journal. 106: 660a. DOI: 10.1016/J.Bpj.2013.11.3655 |
0.444 |
|
2014 |
Vellore NA, Baron R. LSD1/CoREST - H3-Histone Molecular Recognition: Inter-Domain Motions in an Allosteric Nanoscale Clamp Revealed by Computer Simulations Biophysical Journal. 106: 2-4. DOI: 10.1016/J.Bpj.2013.11.1495 |
0.386 |
|
2013 |
Vellore NA, Baron R. Molecular dynamics simulations indicate an induced-fit mechanism for LSD1/CoREST-H3-histone molecular recognition. Bmc Biophysics. 6: 15. PMID 24274367 DOI: 10.1186/2046-1682-6-15 |
0.363 |
|
2013 |
Kulkarni RA, Vellore NA, Bliss MR, Stanford SM, Falk MD, Bottini N, Baron R, Barrios AM. Substrate selection influences molecular recognition in a screen for lymphoid tyrosine phosphatase inhibitors. Chembiochem : a European Journal of Chemical Biology. 14: 1640-7. PMID 23956195 DOI: 10.1002/Cbic.201300273 |
0.329 |
|
2013 |
Robertson JC, Hurley NC, Tortorici M, Ciossani G, Borrello MT, Vellore NA, Ganesan A, Mattevi A, Baron R. Expanding the druggable space of the LSD1/CoREST epigenetic target: new potential binding regions for drug-like molecules, peptides, protein partners, and chromatin. Plos Computational Biology. 9: e1003158. PMID 23874194 DOI: 10.1371/Journal.Pcbi.1003158 |
0.425 |
|
2013 |
Tortorici M, Borrello MT, Tardugno M, Chiarelli LR, Pilotto S, Ciossani G, Vellore NA, Bailey SG, Cowan J, O'Connell M, Crabb SJ, Packham G, Mai A, Baron R, Ganesan A, et al. Protein recognition by short peptide reversible inhibitors of the chromatin-modifying LSD1/CoREST lysine demethylase. Acs Chemical Biology. 8: 1677-82. PMID 23721412 DOI: 10.1021/Cb4001926 |
0.332 |
|
2012 |
Collier G, Vellore NA, Yancey JA, Stuart SJ, Latour RA. Comparison between empirical protein force fields for the simulation of the adsorption behavior of structured LK peptides on functionalized surfaces. Biointerphases. 7: 24. PMID 22589067 DOI: 10.1007/S13758-012-0024-Z |
0.704 |
|
2012 |
Biswas PK, Vellore NA, Yancey JA, Kucukkal TG, Collier G, Brooks BR, Stuart SJ, Latour RA. Simulation of multiphase systems utilizing independent force fields to control intraphase and interphase behavior. Journal of Computational Chemistry. 33: 1458-66. PMID 22488548 DOI: 10.1002/Jcc.22979 |
0.709 |
|
2012 |
Baron R, Vellore NA. LSD1/CoREST reversible opening-closing dynamics: discovery of a nanoscale clamp for chromatin and protein binding. Biochemistry. 51: 3151-3. PMID 22468794 DOI: 10.1021/Bi300068R |
0.343 |
|
2012 |
Abramyan T, Collier G, Kucukkal TG, Li X, Snyder JA, Thyparambil AA, Vellore NA, Wei Y, Yancey JA, Stuart SJ, Latour RA. Understanding protein-surface interactions at the atomistic level through the synergistic development of experimental and molecular simulation methods Acs Symposium Series. 1120: 197-228. DOI: 10.1021/bk-2012-1120.ch009 |
0.687 |
|
2010 |
Yancey JA, Vellore NA, Collier G, Stuart SJ, Latour RA. Development of molecular simulation methods to accurately represent protein-surface interactions: The effect of pressure and its determination for a system with constrained atoms. Biointerphases. 5: 85-95. PMID 21171722 DOI: 10.1116/1.3493470 |
0.682 |
|
2010 |
Vellore NA, Yancey JA, Collier G, Latour RA, Stuart SJ. Assessment of the transferability of a protein force field for the simulation of peptide-surface interactions. Langmuir : the Acs Journal of Surfaces and Colloids. 26: 7396-404. PMID 20222735 DOI: 10.1021/La904415D |
0.715 |
|
2009 |
Collier G, Vellore NA, Latour RA, Stuart SJ. Development of molecular simulation methods to accurately represent protein-surface interactions: Method assessment for the calculation of electrostatic effects. Biointerphases. 4: 57-64. PMID 20408725 DOI: 10.1116/1.3266417 |
0.694 |
|
2007 |
Li X, O'Brien CP, Collier G, Vellore NA, Wang F, Latour RA, Bruce DA, Stuart SJ. An improved replica-exchange sampling method: temperature intervals with global energy reassignment. The Journal of Chemical Physics. 127: 164116. PMID 17979328 DOI: 10.1063/1.2780152 |
0.658 |
|
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