Publications

2022

  • 39. W. Mitchell, J.D. Tamucci, E.L. Ng, S. Liu, A.V. Birk, H.H. Szeto, A.T. Alexandrescu, E.R. May, N.N. Alder. Structure-activity relationships of mitochondria-targeted tetrapeptide pharmacological compounds, eLife , 31 (4), 11:e75531, 2022.
  • 38. M. Sharawy, N.B. Pigni, E.R. May, J.A. Gascon. A Favorable Path to Domain Separation in the Orange Carotenoid Protein, Prot. Sci. , 31 (4), 850-863, 2022. Cover

2021

  • 37. A.K. Jana E.R. May. Atomistic dynamics of a viral infection process: Release of membrane lytic peptides from a non-enveloped virus, Sci. Adv. , 7(16), eabe1761, 2021.

2020

  • 36. A.K. Jana, E.R. May. Structural and dynamic asymmetry in icosahedrally symmetric virus capsids, Curr. Opin. Virol., 45:8-16., 2020.
  • 35. W. Mitchell, E.A. Ng, J.D. Tamucci, K.J. Boyd, M. Sathappa, A. Coscia, M. Pan, X. Han, N.A. Eddy, E.R. May, H.H. Szeto, N.N. Alder. The mitochondria-targeted peptide SS-31 binds lipid bilayers and modulates surface electrostatics as a key component of its mechanism of action, J. Biol. Chem., 295(21):7452-7469, 2020.
  • 34. S. Juliano, L.F. Serafim, S.S. Duay, M.H. Chavez, G. Sharma, M. Rooney, F. Comert, S. Pierce, A. Radulescu, M.L. Cotten, M. Mihailescu, E.R. May, A.I. Greenwood, R. Prabhakar, A.M. Angeles-Boza. A Potent Host Defense Peptide Triggers DNA Damage and is Active against Multi-Drug Resistant Gram-Negative Pathogens, ACS Infect. Dis., 6(5):1250-1263., 2020.
  • 33. J.G. Pattis, E.R. May. Markov State Model of Lassa Virus Nucleoprotein Reveals Large Structural Changes during the Trimer to Monomer Transition, Structure, 28:1-7, 2020.
  • 32. S. Nangia, K.J. Boyd, E.R. May. Molecular dynamics study of membrane permeabilization by wild-type and mutant lytic peptides from the non-enveloped Flock House virus, BBA-Biomembranes, 1862(2):183102, 2020.

2019

  • 31. J. Krucinska, M.N. Lombardo, H. Erlandsen, A. Hazeen, S. S. Duay, J.G. Pattis, V.L. Robinson, E.R. May, D.L. Wright. Functional and structural basis of E. coli enolase inhibition by SF2312: a mimic of the carbanion intermediate, Sci. Rep., 9:17106, 2019.
  • 30. H. Deng, S. Ke, R. Callender, G. Balakrishnan, T.G. Spiro, E.R. May, C.L. Brooks, III. Computational Studies of Catalytic Loop Dynamics in Yersinia Protein Tyrosine Phosphatase Using Pathway Optimization Methods, J. Phys. Chem. B, 123(37):7840-7851, 2019.
  • 29. C.B. Mayo, H. Erlandsen, D.J. Mouser, A.G. Feinstein, V.L. Robinson, E.R. May, J.L. Cole. Structural Basis of Protein Kinase R Autophosphorylation, Biochemistry, 58(27):2967-2977, 2019.
  • 28. S.S. Duay, G. Sharma, R. Prabhakar, A.M. Angeles-Boza, E.R. May. Molecular Dynamics Investigation into the Effect of Zinc (II) on the Structure and Membrane Interactions of the Antimicrobial Peptide Clavanin A, J. Phys. Chem. B, 123(15):3163-3176, 2019.
  • 27. J.G. Pattis, S. Kamal, B. Li, E.R. May. Catalytic Domains of Phosphodiesterase 5, 6, and 5/6 Chimera Display Differential Dynamics and Ligand Dissociation Energy Barriers, J. Phys. Chem. B, 123(4):825-835, 2019.

2018

  • 26. K.J. Boyd, E.R. May. BUMPy: A model-independent tool for constructing lipid bilayers of varying curvature and composition, J. Chem. Theory Comput., 14(12):6642-6652, 2018.
  • 25. R. Friedman, S. Khalid, C. Aponte-Santamaría, E. Arutyunova, M. Becker, K.J. Boyd, ... & C. Dormen. Understanding Conformational Dynamics of Complex Lipid Mixtures Relevant to Biology. J. Membr. Biol.  251(5-6), 609-631, 2018. Pubmed
  • 24. K.J. Boyd, N.N. Alder, E.R. May. Characterization of molecular and bilayer scale properties of cardiolipin and monolysocardiolipin from multi-scale molecular dynamics simulations. Biophys. J., 114(9):2116-2127, 2018. Pubmed
  • 23. S. Nangia, J.G. Pattis, E.R. May. Folding a viral peptide in different membrane environments: pathway and sampling analyses. J. Biol. Phys., 44(2):195-209, 2018. Pubmed

2017

  • 22. K. Malhotra, A. Modak, S. Nangia, T.H. Daman, U. Gunsel, V.L. Robinson, D. Mokranjac, E.R. May, N.N. Alder. Cardiolipin mediates membrane and channel interactions of the mitochondrial TIM23 protein import complex receptor Tim50, Sci. Adv., 3(9):e1700532, 2017. Pubmed
  • 21. K.J. Boyd, N.N. Alder, E.R. May. Buckling Under Pressure: Curvature Based Lipid Segregation and Stability Modulation in Cardiolipin Containing Bilayers, Langmuir, 33(27):6937-6946, 2017. Pubmed
  • 20. S. Nangia, E.R. May. Influence of Membrane Composition on the Binding and Folding of a Membrane Lytic Peptide from the Non-Enveloped Flock hHouse Virus, BBA-Biomembranes, 1859(7):1190-1199, 2017. Pubmed
  • 19. M.D. Ward, S. Nangia, E.R. May. Evaluation of the Hybrid Resolution PACE Model for the Study of Folding, Insertion and Pore Formation of Membrane Associated Peptides, J. Comput. Chem., 38(16):1462-1471, 2017. Pubmed

2016

  • 18. J.G. Pattis, E.R. May. Influence of RNA Binding on the Structure and Dynamics of the Lassa Virus Nucleoprotein, Biophys. J., 110(6):1246-54, 2016. Pubmed
  • 17. A. Aggarwal, E.R. May, C.L. Brooks III, W.S. Klug. Nonuniform Elastic Properties of Macromolecules and Effect of Prestrain on their Continuum Nature, Phys. Rev. E., 93(1):012417, 2016. Pubmed

2015

  • 16. K.J. Boyd, P. Bansal, J. Feng, E.R. May. Stability of Norwalk Virus Capsid Protein Interfaces Evaluated by in-silico Nanoindentation, Front. Bioeng. Biotechnol., 3:103, 2015. Pubmed

2014

  • 15. A.J. Wower, Y. Yang, S.M. Auclair, D. Yu, J. Zhang, E.R. May, M.L. Gross, D.A. Kendall, J.L. Cole. Analysis of SecA Dimerization in Solution, Biochemistry, 53(19):3248-3260, 2014. Pubmed
  • 14. E.R. May. Recent Developments in Molecular Simulation Approaches to Study Spherical Virus Capsids, Mol. Simulat., 40(10-11):878-88, 2014. Pubmed
  • 13. E.R. May, K. Arora, C.L. Brooks III. pH Induced Stability Switching of the Bacteriophage HK97 Maturation Pathway, J. Am. Chem. Soc., 136(8):3097-3107, 2014. Pubmed

2013

  • 12. J. Snijder, V.S. Reddy, E.R. May, W. H. Roos, G.R. Nemerow, G.J.L. Wuite. Integrin and Defensin Modulate the Mechanical Properties of Adenovirus, J. Virol., 87:5 2756-2766, 2013. Pubmed Cover Spotlight

2012

  • 11. E.R. May, C.L. Brooks III. On the Morphology of Viral Capsids: Elastic Properties and Buckling Transitions. J. Phys. Chem. B, 116(29):8604-9, 2012. Pubmed Cover
  • 10. E.R. May, J. Feng, C.L. Brooks III. Exploring the Symmetry and Mechanism of Virus Capsid Maturation via an Ensemble of Pathways. Biophys. J., 102(3):606-612, 2012. Pubmed
  • 9. W.H. Roos, I. Gertsman, E.R. May, C.L. Brooks III, J.E. Johnson, G.J.L. Wuite. The Mechanics of Bacteriophage Maturation. Proc. Natl. Acad. Sci. U.S.A., 109(7):2342-7, 2012. Pubmed
  • 8. E.R. May, K. Arora, R.V. Mannige, H.D. Nguyen, C.L. Brooks III. Multiscale Approaches to Studying Virus Structure, Assembly and Dynamics. In Computational Modeling of Biological Systems: From Molecules to Pathways, N. Dokholyan (Ed.), pp. 167-189, Springer-Verlag, New York, 2012. Link

Prior to 2012

  • 7. E.R. May, A. Aggarwal, W.S. Klug, C.L. Brooks III. Viral Capsid Equilibrium Dynamics Reveals Nonuniform Elastic Properties. Biophys. J., 100(11):L59-61, 2011. Pubmed
  • 6. E.R. May, C.L. Brooks III. Determination of Viral Capsid Elastic Properties from Equilibrium Thermal Fluctuations. Phys. Rev. Lett., 106(18):188101, 2011. Pubmed
  • 5. R.S. Armen, E.R. May, M. Taufer. Protein Docking. In Encyclopedia of Parallel Computing, D. Padua (Ed.), pp. 1638-1647, Springer, 2011. Link
  • 4. E.R. May, R.S. Armen, A.M. Mannan, C.L. Brooks III. The Flexible C-terminal Arm of the Lassa Arenavirus Z-Protein Mediates Interactions with Multiple Binding Partners. Proteins, 78(10):2251-64, 2010. Pubmed
  • 3. E.R. May, D.I. Kopelevich, A. Narang. Coarse-Grained Molecular Dynamics Simulations of Phase Transitions in Mixed Lipid Systems Containing LPA, DOPA, and DOPE Lipids. Biophys. J., 94(3):878-90, 2008. Pubmed
  • 2. E.R. May, A. Narang, D.I. Kopelevich. Role of Molecular Tilt in Thermal Fluctuations of Lipid Membranes. Phys. Rev. E: Stat. Nonlin. Soft Matter Phys., 76(2 Pt 1):021913, 2007. Pubmed
  • 1. E.R. May, A. Narang, D.I. Kopelevich. Molecular Modeling of Key Elastic Properties for Inhomogeneous Lipid Bilayers, Mol. Simulat., 33:787-79, 2007. Link