Brown Lab
Brown Lab

Publications

Publications

2023

  1. Goldberg, A. R., Langwig, K. E., Marano, J., Sharp, A. K., Brown, K. L., Ceci, A., Kailing, M. J., Briggs, R., Roby, C., Brown, A.M., Weger-Lucarelli, J., Finkielstein, C. V., & Hoyt, J. R. (2023). Wildlife exposure to SARS-CoV-2 across a human use gradient. bioRxiv. [DOI]

  2. Williams, J. J., Tractenberg, R. E., Batut, B., Becker, E. A., Brown, A.M., Burke, M. L., Busby, B., Cooch, N. K., Dillman, A. A., Donovan, S. S., Doyle, M. A., Gelder, C. W. G. v., Hall, C. R., Hertweck, K. L., Jordan, K. L., Jungck, J. R., Latour, A. R., Lindvall, J. M., Lloret-Llinares, M., . . . Woodley, L. (2023). Optimizing Short-format Training: an International Consensus on Effective, Inclusive, and Career-spanning Professional Development in the Life Sciences and Beyond. bioRxiv. [DOI]

  3. Singh, S. K.;  King, K.;  Gannett, C.;  Chuong, C.;  Joshi, S. Y.;  Plate, C.;  Farzeen, P.;  Webb, E. M.;  Kunche, L. K.;  Weger-Lucarelli, J.;  Lowell, A. N.;  Brown, A.M.; Deshmukh, S. A. (2023) “Data Driven Computational Design and Experimental Validation of Drugs for Accelerated Mitigation of Pandemic-like Scenarios.” The Journal of Physical Chemistry Letters. 9490-9499. [DOI]

  4. Carter, F., Alanazi, A., Sharp, A. K., Roman, J., Luchini, A., Liotta, L., Paige, M., Brown A.M. Haymond, A. (2023) “Functional PD-L1 Interface Region Responsible for PD-1 Binding and Initiation of PD-1 Signaling.” Journal of Biological Chemistry.  [DOI]

  5. Salar, S., Ball, N., Nix, J., Sobe, R., Compton, K., Zhulin, I., Brown, A.M., Scharf, B., Schubot, F. (2023) “The structural analysis of the periplasmic domain of Sinorhizobium meliloti chemoreceptor McpZ reveals a novel fold and suggests a complex mechanism of transmembrane signaling.” Proteins. 2023; 91(10): 1394-1406. [DOI]

  6. Roesch, F., Cereghino, C., Carrau, L., Hardy, A., Ribeiro-Filho, H., Lacritick, A. H., Koh, C., Marano, J., Bates, T., Rai, P., Chuong, C., Akter, S., Vallet, T., Blanc, H., *Elliott, T., Brown, A.M., Michalak, P., LeRoith, T., Bloom, J., Marques, R. E., Saleh, M.-C., Vignuzzi, M., Weger-Lucarelli, J. (2023). “The E2 glycoprotein holds key residues for Mayaro virus adaptation to the urban Aedes aegypti mosquito.” PLOS Pathogens, 19(4): e1010491. [DOI]

2022

  1. Pashikanti, S., Foster, D.J., Kharel, Y., Brown, A.M., Bevan, D.R., Lynch, K.R. and Santos, W.L. (2022). “Sphingosine Kinase 2 Inhibitors: Rigid Aliphatic Tail Derivatives Deliver Potent and Selective Analogues.” ACS Bio & Med Chem Au. In Press. [DOI]

  2. Gatto, A.J., *Elliott, T.J., Briganti, J.S., Stamper, M.J., Porter, N.D., Brown, A.M., Harden, S.M., Cooper, L.D. and Dunsmore, J.C. (2022). “Development and Feasibility of an Online Brief Emotion Regulation Training (BERT) Program for Emerging Adults.” Front. Public Health, 10. [DOI]

  3. King, K.M., Bevan, D.R., and Brown, A.M. (2022). “Molecular Dynamics Simulations Indicate Aromaticity as a Key Factor in Inhibition of IAPP(20-29) Aggregation.” ACS Chem. Neur. 13, 11, 1615–1626. [DOI]

  4. Sharp, A.K., Newman, D., Libonate, G., Stern, M.B., Bevan, D.R., Anandakrishnan, R., and Brown, A.M. # (2022). Biophysical insights into OR2T7: Investigation of a potential prognostic marker for glioblastoma. Biophys. J. Online Ready. [DOI]  

  5. Kawecki, G., King, K.M., *Cramer, N., Bevan, D.R. and Brown, A.M. (2022). Simulations of Cross-Amyloid Aggregation of Amyloid-β and Islet Amyloid Polypeptide Fragments. Biophys. J. Online Ready. [DOI] 

  6. Breiner, L. M., *Briganti, A. J., McCord, J. P., Heifetz, M. E., Philbrook, S. Y., Slebodnick, C., Brown, A. M., Lowell, A. N. (2022). “Synthesis, testing, and computational modeling of pleuromutilin 1,2,3-triazole derivatives in the ribosome.” Tetrahedron Chem. 100034. [DOI]

2021

  1. King, K.M., Sharp, A.K., Davidson, D.S., Lemkul, J.A., and Brown, A.M. # (2021). Impact of Electronic Polarization on Preformed, β-Strand Rich Homogenous and Heterogeneous Amyloid Oligomers. J. Comp. Biophys. Chem. 21(4) pp. 449-460. [DOI]

  2. Singh, S., King, K., Joshi, S., Brown, A.M#., and Deshmukh S#. (2020) In Silico Discovery and Design of Drug Leads for SARS-CoV-2 Main Protease (Mpro) Using a Hybrid Evolutionary Algorithm Approach. Submitted.

  3. Kang, L., H, G., Sharp, A.K., Wang, X., Brown, A.M., Michalak, P., Weger-Lucarelli, J. (2021) A selective sweep in the Spike gene has driven SARS-CoV-2 human adaptation. Cell. In minor revision. [BioRxiv]

  4. Piai, A., Fu, Qingshan, F., Sharp, A.K., Bighi, B., Brown, A.M#., and Chou, J.J. NMR Model of the Entire Membrane-Interacting Region of the HIV-1 Fusion Protein and Its Perturbation of Membrane Morphology. J. Am. Chem. Soc. Articles ASAP. [DOI]

  5. Wind, L.L., Briganti, J.S., Brown, A.M., Neher, T.P., Davis, M.F., Durso, L.M., Spicer, T., Lansing, S. (2021) Finding What Is Inaccessible: Antimicrobial Resistance Language Use among the One Health Domains. Antibiotics. 10, 385. [DOI]

  6. Congdon, M., Fritzemeier, R. G., Kharel, Y., Brown, A. M., Serbulea, V., Bevan, D. R., Lynch, K. R., & Santos, W. L. (2021). Probing the substitution pattern of indole-based scaffold reveals potent and selective sphingosine kinase 2 inhibitors. Eur J Med Chem. 212, 113121. [DOI]

  7. Gaji, R. Y., Sharp, A. K., and Brown, A. M. (2021). Protein kinases in Toxoplasma gondii. Int J Parasitol. S0020-7519(21)00049-7. Advance online publication. [DOI]

  8. Dailing, A., Mitchell, K., Vuong, N., Lee, K. H., Joshi, R., Espina, V., Haymond Still, A., Gottschalk, C. J., Brown, A. M., Paige, M., Liotta, L. A., and Luchini, A. (2021). Characterization and Validation of Arg286 Residue of IL-1RAcP as a Potential Drug Target for Osteoarthritis. Front Chem. 8, 601477. [DOI]

  9. Li H., Sibley C.D., Kharel Y., Huang T., Brown A.M., Wonilowicz L.G., Bevan D.R., Lynch K.R., and Santos W.L. (2021) Lipophilic tail modifications of 2-(hydroxymethyl)pyrrolidine scaffold reveal dual sphingosine kinase 1 and 2 inhibitors. Bioorg Med Chem. 30, 115941. [DOI]

  10. Kim, C., Brown, A.M., Grove, T., and Etzkorn F. (2021) Designed Leucine-Rich Repeat Proteins Bind Muramyl Dipeptide with High Affinity. Protein Sci. 30, 804-817. [DOI]

  11. Brown, A.M. (2022) “Teaching, Training, and Mentoring Students in Research Practices Inside and Outside the Classroom.” Teaching in The University: Learning from the Experiences Of Grad Students And Early Career Faculty. Virginia Tech Publishing. [LINK]

  12. Lewis, S.N. and Brown, A.M. (Expected 2021) “Abstracts as Puzzles: A Teaching Tool for Research Summarization” Science + SciComm + Work: Effective Communication in Science Programs. A Practical Guide for Students and Teachers. Springer. In production. 

  13. Chen, D., Briganti, J.S., and Brown, A.M. (2022) “Teaching Data Literacy Skills and Building a Community of Practice Through University Libraries”. Teaching Research Data Management. ALA Editions. [LINK]

2020

  1. Sharp, A. K., Gottschalk, C.J., and Brown, A. M.# (2020) Utilization of Computational Techniques and Tools to Introduce or Reinforce Knowledge of Biochemistry and Protein Structure-Function Relationships, Biochem Mol Biol Educ. 48, 662-664. [DOI]

  2. Briganti, J.S., Ogier, A., and Brown, A.M., Piloting a Community of Student Data Consultants that Supports and Enhances Research Data Services. International Journal of Digital Currency, 15(1). [Abstract]

  3. Song, W., Gottschalk, C.J., Tang, T.-X., Biscardi, A., Ellena, J.F., Finkielstein, C.V., Brown, A.M., and Capelluto, D. G. S., Structural, in silico, and functional analysis of a Disabled2-derived peptide for recognition of sulfatides. Scientific Reports, 10, 13520. [Abstract]

  4. Sibley, C. D., Morris, E. A., Kharel, Y., Brown, A.M., Huang, T., Bevan, D. R., Lynch, K. R., and Santos, W. L., Discovery of a Small Side Cavity in Sphingosine Kinase 2 that Enhances Inhibitor Potency and Selectivity. Journal of Medicinal Chemistry, 63, 1178-1198. [Abstract]

  5. Lewis, S.N, Brown, A.M, and MacDonald, A.B. (2020) “Open Pedagogical Practices to Train Undergraduates in the Research Process: A Case Study in Course Design and Co-Teaching Strategies.” Open Pedagogy Approaches: Faculty, Library, and Student Collaborations. [LINK] July 2020.

2019

  1. Adepoju, O., Williams, S.P., Craige, B., Cridland, C.A., Sharp, A.K., Brown, A.M., Land, E., Perera, I.Y., Mena, D., Sobrado, P., and Gillaspy, G.E. (2019) Inositol Trisphosphate Kinase and Diphosphoinositol Pentakisphosphate Kinase Enzymes Constitute the Inositol Pyrophosphate Synthesis Pathway in Plants. bioRxiv, 72491. [Abstract]

  2. Hilu, K. W., Friend, S. A., Vallanadu, V., Brown, A. M., Hollingsworth, L. R. t., and Bevan, D. R., Molecular evolution of genes encoding allergen proteins in the peanuts genus Arachis: Structural and functional implications. PLoS One, 14, e0222440. [Abstract]

  3. Salsbury, A.M., Brown, A.M., and Lemkul, J.A., Integrating Scientific Programming in Communities of Practice for Students in the Life Sciences, In Proceedings of the Practice and Experience in Advanced Research Computing on Rise of the Machines (learning). p Article 83, Association for Computing Machinery, Chicago, IL, USA. [Abstract]

  4. Worrell, B. L.; Brown, A. M.; Santos, W. L.; Bevan, D. R., In silico Characterization of Structural Distinctions Between Isoforms of Human and Mouse Sphingosine Kinases for Accelerating Drug Discovery. Journal of Chemical Information and Modeling. [Abstract]

  5. Cramer, N. A.; Kawecki, G.; Bevan, D. R.; Brown, A. M., Insight into Amyloid Interactions: Molecular Dynamics Simulations of Model Peptide Fragments. Biophysical Journal, 116 (3), 437a. [Abstract]

  6. Capelluto, D. G.; Xiong, W.; Littleton, E.; Jiang, L.; Brown, A. M.; Finkielstein, C., Autoinhibition Mechanism for Phosphoinositide Binding by the Endosomal Trafficking Protein Tom1. Biophysical Journal, 116 (3), 369a. [Abstract]

  7. Hollingsworth, L. R. I. V.; Lemkul, J. A.; Gandour, R. D.; Bevan, D. R.; Brown, A. M., Molecular Dynamics Simulations of gp120 and gp41 of HIV Env Provide Insights into Strain Specificity and the Role of the Membrane Environment. Biophysical Journal, 116 (3), 46a. [Abstract]

2018

  1. Shrestha, M., Compton, K. K., Mancl, J. M., Webb, B. A., Brown, A. M., Scharf, B. E., & Schubot, F. D. (2018) Structure of the sensory domain of McpX from Sinorhizobium meliloti, the first known bacterial chemotactic sensor for quaternary ammonium compounds. Biochemical Journal, 475 (24), 3949. [Abstract]

  2. Liu, J. J., Zou, X., Gotoh, T., Brown, A. M., Jiang, L., Wisdom, E. L., Kim, J. K., & Finkielstein, C. V. (2018) Distinct control of PERIOD2 degradation and circadian rhythms by the oncoprotein and ubiquitin ligase MDM2. Science Signaling, 11 (556), eaau0715. [Abstract]

  3. Davidson, D. S., Brown, A. M., & Lemkul, J. A. (2018) Insights into Stabilizing Forces in Amyloid Fibrils of Differing Sizes from Polarizable Molecular Dynamics Simulations. Journal of Molecular Biology, 430 (20). 3819-3834. [Abstract]

  4. Ogier, A. L., Brown, A. M., Petters, J. L., Hilal, A. E., & Porter, N. D. (2018) Enhancing Collaboration Across the Research Ecosystem: Using Libraries as Hubs for Discipline-Specific Data Experts. Proceedings of the Practice and Experience on Advanced Research Computing, ACM: Pittsburgh, PA, USA; pp 1-6. [Abstract]

  5. Ricketts, H. R., Salsbury, A. M., Bevan, D. R, & Brown, A. M. (2018) Using Immersive Visualization Environments to Engage Students in Hands-On Learning. Proceedings of the Practice and Experience on Advanced Research Computing, ACM: Pittsburgh, PA, USA; pp 1-5. [Abstract]

  6. Hollingsworth, L. R., Brown, A. M., Gandour, R. D., & Bevan, D. R. (2018). Computational study of HIV gp120 as a target for polyanionic entry inhibitors: Exploiting the V3 loop region. Plos One, 13(1). [Abstract]

  7. Hollingsworth, L. R., Lemkul, J. A., Bevan, D. R., & Brown, A. M. (2018). HIV-1 Env gp41 Transmembrane Domain Dynamics are Modulated by Lipid, Water, and Ion Interactions. Biophysical Journal, 115 (1), 84-94. [Abstract]

2017 

  1. Hollingsworth IV, L. R., Brown, A. M., & Bevan, D. R. (2017, July). Utilizing Computational Techniques to Accelerate Discovery in Peanut Allergenicity: A Case Study. In Proceedings of the Practice and Experience in Advanced Research Computing 2017 on Sustainability, Success and Impact (p. 73). ACM. [Abstract]

  2. Brown, A. M., & Bevan, D. R. (2017, July). Introducing Protein 3-D Visualization Software to Freshman Undergraduate Students: Making Connections and Building Skills. In Proceedings of the Practice and Experience in Advanced Research Computing 2017 on Sustainability, Success and Impact (p. 51). ACM. [Abstract]

  3. Childress, E. S., Kharel, Y., Brown, A. M., Bevan, D. R., Lynch, K. R., & Santos, W. L. (2017). Transforming Sphingosine Kinase 1 Inhibitors into Dual and Sphingosine Kinase 2 Selective Inhibitors: Design, Synthesis, and in Vivo Activity. Journal of Medicinal Chemistry, 60(9), 3933-3957. [Abstract]

  4. Turner, S. G., Brown, A. M., & Jarrott, S. E. (2017). For Students, By Students: Service-Learner Involvement in the Development of Visiting Kits to Facilitate Student Interactions with Old Adults. Journal of Intergenerational Relationships, 15(2), 181-187. [Abstract]

  5. Brown, A. M., & Bevan, D. R. (2017). Influence of Sequence and Lipid Type on Membrane Perturbation by Human and Rat Amyloid β-Peptide (1-42). Biophysical Journal, 108(2). [DOI]

2016 

  1. Wu, L., Velander, P., Ray, K., Brown, A., Helm, R., Bevan, D., & Xu, B. (2016, October). Discovery and Mechanisms of Small Molecule Inhibitors against Amylin Amyloidosis in the pancreas and the brain. In Protein Science (Vol. 25, pp. 18-18). Wiley-Blackwell.

  2. Brown, A., & Bevan, D. (2016). Molecular Dynamics Simulations of Amyloid β -Peptide (1-42): Tetramer Formation and Membrane Interactions. Biophysical Journal, 111(5), 937-949. doi:10.1016/j.bpj.2016.08.001 [Abstract]

  3. Brown, A. M., Lewis, S. N., & Bevan, D. R. (2016). Development of a structured undergraduate research experience: Framework and implications. Biochemistry and Molecular Biology Education, 44(5), 463-474. [Abstract]

  4. Brown, A., Polys, N., Bevan, D., & Mohammed, A. (2016, July). Insights into Alzheimer's Disease: Molecular Dynamics (MD) Simulations of Peptide-Membrane Interactions. In Proceedings of the XSEDE16 Conference on Diversity, Big Data, and Science at Scale (p. 59). ACM. [Abstract]

  5. Miller, D. V., Brown, A. M., Xu, H., Bevan, D. R., & White, R. H. (2016). Purine salvage in Methanocaldococcus jannaschii: Elucidating the role of a conserved cysteine in adenine deaminase. Proteins: Structure, Function, and Bioinformatics, 84(6), 828-840. doi:10.1002/prot.25033 [Abstract]

  6. Brown, A. M. (2016). Insights into Mechanisms of Amyloid Toxicity: Molecular Dynamics Simulations of the Amyloid andbeta-peptide (Aandbeta) and Islet Amyloid Polypeptide (IAPP) (Doctoral dissertation, Virginia Tech). [Abstract]

  7. Miller, D.V., Brown, A.M., Xu, H., Bevan, D.R., and White, R.H. (2016) "Elucidating the Role of a Conserved Cysteine in Adenine Deaminase." Proteins. In press. doi: 10.1002/prot.25033

  8. Congdon, M.D., Kharel, Y., Brown, A.M., Lewis, S.N., Thorpe, S.B., Bevan, D.R., Lynch, K.R., and Santos, W. L. (2016) "Structure-activity relationship studies and molecular modeling of naphthalene-based sphingosine kinase 2 inhibitors" J. Med. Chem. Letters. 7 (3), 229-234. (Cover Art for March 2016)[Abstract]

2015

  1. Zhao, X., Xiao, S., Berk, S., Brown, A. M., Bevan, D. R., Armstrong, G., & Capelluto, D. G. (2015). Structural Basis of Phosphoinositide (PIP) Recognition by the TIRAP PIP-Binding Motif. Biophysical Journal, 108(2), 93a. [Abstract]

2014 

  1. Brown, A. M., Lemkul, J. A., Schaum, N., and Bevan, D. R. (2014) Simulations of monomeric amyloid β-peptide (1-40) with varying solution conditions and oxidation state of Met35: Implications for aggregation, Arch. Biochem. Biophys. 545, 44-52. [Abstract]

2013 

  1. Gerben, S.R., Lemkul, J.A., Brown, A.M., and Bevan, D.R. (2013) Comparing Atomistic Molecular Mechanics Force Fields for a Difficult Target: A Case Study on the Alzheimer's Amyloid β-Peptide. J. Biomol. Struct. Dyn. 1-16. [Abstract]