Conference Abstracts

1. Laakkonen L, Filizola M, Loew G “Construction, assessment and characterization of ligand-receptor complexes in models of opioid receptors” Poster Presentation. BIOPHYS J 76 (1): A15-A15 Part 2 JAN 1999

2. Filizola M, Loew GH “Role of protein environment in horseradish peroxidase and chloroperoxidase compound I information” Poster Presentation. BIOPHYS J 78 (1): 1677Pos Part 2 JAN 2000.

3. Filizola M, Villar H, Loew G “A new generation of 3D models of m-, d-, and k- opioid receptors”. Poster Presentation. BIOPHYS J 80 (1): 205 Part 2 JAN 2001.

4. Filizola M, Olmea O, Weinstein H “Using correlated mutation analysis to predict the heterodimerization interface of GPCRs” Poster Presentation. BIOPHYS J 82 (1): 2307 Part 2 JAN 2002.

5. Watts SW, Filizola M, Galligan JJ, Weinstein H, Fink GD “Potential functional interaction of the ETA and ETB receptors” Poster Presentation. HYPERTENSION 40 (3): 26 SEP 2002

6. Filizola M., Guo W., Javitch JA, Weinstein H “Dimerization in G-protein coupled receptors: Correlation analysis and electron density maps of rhodopsin from different species suggest subtype-specific interfaces” Poster Presentation. Biophys. J. 84 (2): 269A-270A Part 2 Suppl. S FEB 2003

7. Filizola M., Hassan SA, French DL, Coller BS, Weinstein H “A refined model of integrin aIIbβ3 using a cognate template and a new method for identifying accurate loop conformations in proteins” Poster Presentation. BIOPHYS J 84 (2): 459A-459A Part 2 Suppl. S FEB 2003

8. Wang, S.X., Filizola, M., Ceruso, M., Weinstein, H. “Rhodopsin dimers: Molecular dynamics simulations using discrete representations of the membrane and water environment.” Poster Presentation. BIOPHYS. J. 88 (1): 81A-81A Part 2 Suppl. S JAN 2005

9. Fowler, J.C., Filizola, M., Weinstein, H., Javitch, J.A., Nichols, D.E., Mailman, R.B. “Receptor-ligand interactions related to dopamine D_2L, receptor functional selectivity
Poster Presentation. FASEB J. 19 (4): A530-A530 Part 1 Suppl. S MAR 4 2005

10. Filizola, M., Basdevant, N., Weinstein, H. “On the specificity of RGS proteins in regulating G protein-mediated receptor signal transduction pathways.” Poster Presentation. BIOPHYS. J. 90: Suppl. S JAN 2006

11. Fowler, J.C., Filizola, M., Weinstein, H., Javitch, J.A., Mailman, R.B.Transmembrane five effects on functional selectivity at the dopamine D21…Poster Presentation. FASEB JOURNAL 20 (4): A246-A246 Part 1 MAR 6 2006

12. Filizola, M. “Computational studies of G-protein coupled receptor oligomers” ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 231: – 287-COMP MAR 26 2006

13. Fowler, J.C., Filizola, M., Weinstein, H., Javitch, J.A., Mailman, R.B. “Stereochemical effects on functional selectivity at the dopamine D2L receptor” Poster Presentation. ACTA PHARMACOLOGICA SINICA 27: 408-408 Suppl. 1 JUL 2006

14. Niv, M.Y., Filizola, M. “Dynamic models of G-protein coupled receptor oligomers: Insights from normal mode analysis.” Poster Presentation. BIOPHYS. J. : 379A-379A Suppl. S JAN 2007

15. Murcia, M., Coller, B.S., Filizola, M. “Allosteric transition pathway between inactive and active states of integrin alphallbbeta3 as simulated by targeted molecular dynamics” Poster Presentation. BIOPHYS. J. : 379A-379A Suppl. S JAN 2007

16. Jirouskova, M., Murcia, M., Li, J.H., Coller, B.S., Filizola, M. “Functional and computational analysis of the role of the adjacent to metal ion-dependent adhesion site (ADMIDAS) of integrin alphaIIbbeta3” Poster Presentation. BLOOD 108 (11): 46A-47A 143 Part 1 NOV 16 2006

17. Murcia, M., Jiroušková, M., Li, J., Coller, B. S., Filizola, M. “Equilibrium and Non-Equilibrium Molecular Dynamics Simulations Provide Potential Mechanisms for the Loss of Ligand Binding to αIIbβ3 Mutants Affecting the Ligand-Induced Metal Binding Site (LIMBS)” Poster Presentation. BLOOD 108 (11): 512A-512A 1805 Part 1 NOV 16 2006.

18. Blue, R., Kowalska, M.A., Murcia, M., Janczak, C.A., Jirouskova M, Li JH, Harrington, A., Fuentes, R., Thornton, M.A., Filizola, M., Poncz, M., Coller, B.S. “Structural and Therapeutic Insights from the Species Specificity and in Vivo Antithrombotic Activity of a Novel alpha IIb-Specific alpha IIb beta 3 Antagonist” BLOOD112 (11)101-101NOV 16 2008

19. Blue, R, Steinberger, J., Li, J., Murcia, M., Filizola, M., Coller, B.S. “Limiting alpha IIb Extension at the Genu Differentially Affects Binding of Small and Large Ligands to alpha IIb beta 3” BLOOD 112 (11) 101-101 NOV 16 2008

20. Khelashvili, G., Filizola, M., and Weinstein, H. “The Role of Cholesterol in the Membrane Environment of the Rhodopsin Dimer Suggests Involvement in the Structural and Functional Asymmetry of G Protein-Coupled Receptor Oligomers” J. 2008 94: 2381.

21. Bandyopadhyay, D., Bortolato, A., Mehler, E.L., Filizola, M. “Improving Prediction of G-Protein Coupled Receptor Loops” J. 2008 94: 1974.

22. Provasi, D., Djemil, I., Barreyro, L., Ubarretxena-Belandia, I., Filizola, M. “Assessment of the Molecular Determinants Required for Dimerization of the Amyloid Precursor Protein Transmembrane Domain by a Combined Experimental and Computational Approach.” J. 2009 Volume 96, Issue 3, Pages 301a-301a

23. Provasi, , Palczewski, K., Filizola, M. “Exploring the Thermodynamics of Activation Pathways of Bovine Rhodopsin with Fast Molecular Dynamics Simulations.” Biophys. J. 2009 Volume 96, Issue 3, Pages 679a-679a

24. Chavez, J.L., Djemil, I., Provasi, D., Torres, C.M., Filizola, M., Ubarretxena, I. “Substrate Specificity And Peptide Bond Selectivity In Rhomboid Intramembrane Proteases” J. 2009 Volume 96, Issue 3, Pages 326a-327a

25. Mobarec, J.C., Sanchez, R., Filizola, M. “On Template Selection for Homology Modeling of G-Protein Coupled Receptors.” J. 2009 Volume 96, Issue 3, Pages 653a-653a

26. Bortolato, A., Aburi, M., Urizar, E., Javitch, J.A., Filizola, M. “Modern Molecular Models and Simulations of Opioid Receptor Dimers.” J. 2009 Volume 96, Issue 3, Pages 677a-677a

27. Provasi, D., Mobarec, J.C., Camacho, M., and M. Filizola. “Computational Insight Into The Ligand-Induced Conformational Specificity Of G-Protein Coupled Receptors” J. 2010 Volume 98, Issue 3, Pages 290a-290a

28. Mobarec, J.C. and Filizola, M. “Common Dynamic Behavior of Inactive G-Protein Coupled Receptor Structures For Diffusible Ligands.” J. 2010 Volume 98, Issue 3, Pages 288a-288a.

29. Negri, A., Provasi, D., Zhu, J., Zhu, J., Coller, B.S., Springer, T.A., Filizola, M. “Computational Prediction And Experimental Validation Of A Novel Binding Site For Platelet Integrin Αlphaiib-Βeta3.” J. 2010 Volume 98, Issue 3, Pages 40a-40a

30. Negri, A., Naini, S., Coller, B.S., Filizola, M. “Exploring New Druggable Binding Sites Of Platelet Integrin aIIbβ3” J. 2011 Volume 100, Iissue 3, Pages 394a-394a

31. Provasi, D., Li, Z., Shim, J., Fribourg, M., Moreno, J.L., Logothetis, D.E., Gonzalez-Maeso, J., MacKerell, A.D.Jr., Filizola, M. “Metadynamics-Based Mechanistic Interpretation of Functional Crosstalk Between Serotonin 2A and Metabotropic Glutamate 2 Receptors” J. 2011 Volume 100, Iissue 3, Pages 255a-255a.

32. Johnston, J.M., Provasi, D., Filizola, M. “Investigating The Relative Stability Of Opioid Receptor Homo- And Hetero-Dimers Using Biased Molecular Dynamics Methods”, J. 2011 Volume 100, Iissue 3, Pages 255a-255a.

33. Mondal, S., Khelashvili, G., Johnston, J.M., Wand, H., Provasi, D., Andersen, O.S., Filizola, M., Weinstein, H. “Interaction With The Membrane Uncovers Essential Differences Between Highly Homologous GPCRs”, J. 2012 Volume 102, Issue 3, Page 514a.

34. Wang, H., Johnston, J.M., Provasi, D., Filizola, M. “Investigating Structure And Sequence Dependence In The Dimerization Of G Protein-Coupled Receptors” J. 2012 Volume 102, Issue 3, Page 514a.

35. Provasi, D., Negri, A., Coller, B.S., Filizola, M. “Mechanistic Insights Into aIIbβ3 Integrin Signaling From Long-Timescale Molecular Dynamics Simulations.” J. 2012 Volume 102, Issue 3, Pages 398a-399a.

36. Mathiasen, S., Tonnesen, A., Christensen, S., Fung, J.J., Rasmussen, S.G.F., Borrero, E., Provasi, D., Filizola, M., Kobilka, B., Stamou, D. Membrane Curvature Regulates The Oligomerization Of Human Β2-Adrenergic Receptors” J. 2013 Volume 104, Issue 2, Pages 42A-42A.

37. Negri, A., Borrero, E.E., Provasi, D., Coller, B.S., Filizola, M. “Assessing Metal Ion Preference For The Metal Ion-Dependent Adhesion Site (MIDAS) Of Platelet Integrin Αiibβ3.” J. 2013 Volume 104, Issue 2, Pages 608A-609A.

38. Negri, A., Choi, W.S., Coller, B.S., Filizola, M. “Using Hybrid Methods To Refine A Complete Atomic Structure Of The Human Integrin aIIbβ3 Ectodomain Into A Low-Resolution Electron Microscopy Map Of The Intact Receptor In Nanodiscs.” J. 2013 Volume 104, Issue 2, Pages 70A-71A.

39. Johnston, J.M., Filizola, M. “On The Relative Stability Of Dimeric Interfaces Of The Mu-Opioid Receptor Inferred From Recent Crystallographic Studies.” J. 2013 Volume 104, Issue 2, Pages 114A-114A.

40. Borrero, E. E., Provasi, D., Mathiasen, S., Stamou, D., Filizola, M. A Computational Investigation Of The Effect Of Membrane Curvature On G-Protein Coupled Receptor Oligomerization” J. 2013 Volume 104, Issue 2, Pages 114A-114A.

41. Scarabelli, G., Provasi, D., Negri, A., Filizola, M. Mapping The Conformational Free-Energy Landscape of Classical Opioid Peptides Using Extensive Molecular Dynamics and Bias Exchange Metadynamics Simulations. ” J. 2013 Volume 104, Issue 2, Pages 116A-116A.

42. Boz, M.B., Johnston, J.M., Filizola, M. “Preferred Homo- And Hetero-Dimeric Configurations of All Major Opioid Receptor Subtypes as Predicted By Simulated Self-association in Explicit Lipid-Water Environment.” J. 2014 Volume 106, Issue 2, Pages 306A-306A.

43. Shang, Y., Le Rouzic, V., Pasternak, G.W., Filizola, M. “A Molecular-Level Investigation of the Effect of Sodium Ions on the Binding of Opioid Ligands to their Receptors.” J. 2014 Volume 106, Issue 2, Pages 105A-105A

44. Schneider, S., Provasi, D., Filizola, M. “Towards the Rational Design of Opioids with Desired Binding Kinetics” J. 2014 Volume 106, Issue 2, Pages 308A-308A.

45. Provasi, D., Bisignano, P., Filizola, M. “Biased Agonism at Opioid Receptors: Insights from Analysis of Structural Interaction Fingerprints” 1757-Plat, Biophysical Society 59th Annual Meeting, Baltimore, Maryland, February 7-11, 2015.

46. Schneider, S., Provasi, D., Filizola, M. “Molecular Determinants and Kinetic Parameters of Ligand Binding to G Protein-Coupled Receptors Using Markov State Model Analysis” 490-Pos, Biophysical Society 59th Annual Meeting, Baltimore, Maryland, February 7-11, 2015.

47. Shang, Y., Yeatman, H.R., Burford, N., Livingston, K., Bisignano, P., Traynor, J., Alt, A., Christopoulos, A., Canals, M., Filizola, M. “Binding Pockets and Poses of Allosteric Modulators of Opioid Receptors Identified by Metadynamics”, 2089-Pos, Biophysical Society 59th Annual Meeting, Baltimore, Maryland, February 7-11, 2015.

48. Bisignano, P., Burford, N.T., Gerritz, S.W., Alt, A., Filizola, M. “Structure-Guided Discovery of Positive Allosteric Modulators of the Mu-Opioid Receptor”, 2088-Pos, Biophysical Society 59th Annual Meeting, Baltimore, Maryland, February 7-11, 2015.

49. Marino, K.A., Provasi, D., Filizola, M. “Supra-Molecular Organization of the Crystallographic Conformations of Inactive and Activated mu-Opioid Receptor in a multi-component plasma membrane model”, Biophysical Society 60th Annual Meeting, Los Angeles, CA, Feb 27 – Mar 2, 2016.

50. Schneider, S., Provasi, D., Saylor, R., Prisinzano, T., Filizola, M. “Predicted Mode of Binding of Non-Nitrogenous mu-Opioid Receptor Ligands by Metadynamics”, Biophysical Society 60th Annual Meeting, Los Angeles, CA, Feb 27 – Mar 2, 2016.

51. Schneider, S., Provasi, D., Filizola, M. “Binding Pathways of a G-Protein Biased mu-Opioid Receptor Agonist Under Clinical Evaluation”, Biophysical Society 60th Annual Meeting, Los Angeles, CA, Feb 27 – Mar 2, 2016.

52. Kapoor, A., Martinez-Rosell, , Provasi, D., de Fabritiis, G. Filizola, M. “Insights into µ-Opioid Receptor Activation from Adaptive Sampling and Markov State Modeling.”, Biophysical Society 61^st Annual Meeting, New Orleans, LA, Feb 11 – Feb 15, 2017.

53. Prada-Gracia, D., Marino, K.A., Provasi, D., and Filizola, M. “Kinetics of G Protein-Coupled Receptor Dimerization from Markov State Model Analysis of Coarse-Grained Simulations.” Biophysical Society 61^st Annual Meeting, New Orleans, LA, Feb 11 – Feb 15, 2017.