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Anne M Brown - Publications

Affiliations: 
2016- Biochemistry Virginia Polytechnic Institute and State University, Blacksburg, VA, United States 
Area:
Molecular Modeling, Computational Biology, Experiential Learning, Molecular Docking, Data Analytics and Visualization
Website:
https://www.vtcdd.science.vt.edu/faculty/brown-anne.html
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28 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2022 Pashikanti S, Foster DJ, Kharel Y, Brown AM, Bevan DR, Lynch KR, Santos WL. Sphingosine Kinase 2 Inhibitors: Rigid Aliphatic Tail Derivatives Deliver Potent and Selective Analogues. Acs Bio & Med Chem Au. 2: 469-489. PMID 36281302 DOI: 10.1021/acsbiomedchemau.2c00017  0.578
2022 King KM, Bevan DR, Brown AM. Molecular Dynamics Simulations Indicate Aromaticity as a Key Factor in the Inhibition of IAPP Aggregation. Acs Chemical Neuroscience. 13: 1615-1626. PMID 35587203 DOI: 10.1021/acschemneuro.2c00025  0.609
2022 Kawecki GE, King KM, Cramer NA, Bevan DR, Brown AM. Simulations of cross-amyloid aggregation of amyloid-β and islet amyloid polypeptide fragments. Biophysical Journal. PMID 35538665 DOI: 10.1016/j.bpj.2022.05.007  0.59
2022 Sharp AK, Newman D, Libonate G, Borns-Stern M, Bevan DR, Brown AM, Anandakrishnan R. Biophysical insights into OR2T7: Investigation of a potential prognostic marker for glioblastoma. Biophysical Journal. PMID 35538663 DOI: 10.1016/j.bpj.2022.05.009  0.538
2021 King KM, Sharp AK, Davidson DS, Brown AM, Lemkul JA. Impact of Electronic Polarization on Preformed, β-Strand Rich Homogenous and Heterogenous Amyloid Oligomers. Journal of Computational Biophysics and Chemistry. 21: 449-460. PMID 35756548 DOI: 10.1142/s2737416521420059  0.632
2021 Wu L, Velander P, Brown AM, Wang Y, Liu D, Bevan DR, Zhang S, Xu B. Rosmarinic Acid Potently Detoxifies Amylin Amyloid and Ameliorates Diabetic Pathology in a Transgenic Rat Model of Type 2 Diabetes. Acs Pharmacology & Translational Science. 4: 1322-1337. PMID 34423269 DOI: 10.1021/acsptsci.1c00028  0.529
2020 Congdon M, Fritzemeier RG, Kharel Y, Brown AM, Serbulea V, Bevan DR, Lynch KR, Santos WL. Probing the substitution pattern of indole-based scaffold reveals potent and selective sphingosine kinase 2 inhibitors. European Journal of Medicinal Chemistry. 212: 113121. PMID 33445156 DOI: 10.1016/j.ejmech.2020.113121  0.559
2020 Li H, Sibley CD, Kharel Y, Huang T, Brown AM, Wonilowicz LG, Bevan DR, Lynch KR, Santos WL. Lipophilic tail modifications of 2-(hydroxymethyl)pyrrolidine scaffold reveal dual sphingosine kinase 1 and 2 inhibitors. Bioorganic & Medicinal Chemistry. 30: 115941. PMID 33385956 DOI: 10.1016/j.bmc.2020.115941  0.569
2020 Song W, Gottschalk CJ, Tang TX, Biscardi A, Ellena JF, Finkielstein CV, Brown AM, Capelluto DGS. Structural, in silico, and functional analysis of a Disabled-2-derived peptide for recognition of sulfatides. Scientific Reports. 10: 13520. PMID 32782308 DOI: 10.1038/S41598-020-70478-0  0.341
2020 Sibley CD, Morris EA, Kharel Y, Brown AM, Bevan DR, Lynch KR, Santos WL. Discovery of a Small Side Cavity in Sphingosine Kinase 2 that Enhances Inhibitor Potency and Selectivity. Journal of Medicinal Chemistry. PMID 31895563 DOI: 10.1021/Acs.Jmedchem.9B01508  0.6
2019 Hilu KW, Friend SA, Vallanadu V, Brown AM, Hollingsworth LR, Bevan DR. Molecular evolution of genes encoding allergen proteins in the peanuts genus Arachis: Structural and functional implications. Plos One. 14: e0222440. PMID 31675366 DOI: 10.1371/Journal.Pone.0222440  0.558
2019 Worrell BL, Brown AM, Santos WL, Bevan DR. In silico Characterization of Structural Distinctions Between Isoforms of Human and Mouse Sphingosine Kinases for Accelerating Drug Discovery. Journal of Chemical Information and Modeling. PMID 30844267 DOI: 10.1021/Acs.Jcim.8B00931  0.606
2019 Hollingsworth LR, Lemkul JA, Gandour RD, Bevan DR, Brown AM. 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: 46a. DOI: 10.1016/J.Bpj.2018.11.293  0.691
2019 Cramer NA, Kawecki G, Bevan DR, Brown AM. Insight into Amyloid Interactions: Molecular Dynamics Simulations of Model Peptide Fragments Biophysical Journal. 116: 437a. DOI: 10.1016/J.Bpj.2018.11.2353  0.604
2018 Hollingsworth LR, Lemkul JA, Bevan DR, Brown AM. HIV-1 Env gp41 Transmembrane Domain Dynamics Are Modulated by Lipid, Water, and Ion Interactions. Biophysical Journal. 115: 84-94. PMID 29972814 DOI: 10.1016/J.Bpj.2018.05.022  0.703
2018 Davidson DS, Brown AM, Lemkul JA. Insights into Stabilizing Forces in Amyloid Fibrils of Differing Sizes from Polarizable Molecular Dynamics Simulations. Journal of Molecular Biology. PMID 29782833 DOI: 10.1016/J.Jmb.2018.05.020  0.656
2018 Hollingsworth LR, Brown AM, Gandour RD, Bevan DR. Computational study of HIV gp120 as a target for polyanionic entry inhibitors: Exploiting the V3 loop region. Plos One. 13: e0190658. PMID 29346393 DOI: 10.1371/Journal.Pone.0190658  0.595
2018 Shrestha M, Compton KK, Mancl JM, Webb BA, Brown AM, Scharf BE, Schubot FD. Structure of the sensory domain of McpX fromSinorhizobium meliloti, the first known bacterial chemotactic sensor for quaternary ammonium compounds. Biochemical Journal. 475: 3949-3962. DOI: 10.2210/Pdb6D8V/Pdb  0.319
2017 Childress ES, Kharel Y, Brown AM, Bevan DR, Lynch KR, Santos WL. Transforming Sphingosine Kinase 1 Inhibitors into Dual and Sphingosine Kinase 2 Selective Inhibitors: Design, Synthesis, and In Vivo Activity. Journal of Medicinal Chemistry. PMID 28406646 DOI: 10.1021/Acs.Jmedchem.7B00233  0.588
2016 Brown AM, Bevan DR. Influence of sequence and lipid type on membrane perturbation by human and rat amyloid β-peptide (1-42). Archives of Biochemistry and Biophysics. PMID 27884599 DOI: 10.1016/J.Bpj.2014.11.1417  0.614
2016 Brown AM, Bevan DR. Molecular Dynamics Simulations of Amyloid β-Peptide (1-42): Tetramer Formation and Membrane Interactions. Biophysical Journal. 111: 937-49. PMID 27602722 DOI: 10.1016/J.Bpj.2016.08.001  0.64
2016 Brown AM, Lewis SN, Bevan DR. Development of a structured undergraduate research experience: Framework and implications. Biochemistry and Molecular Biology Education : a Bimonthly Publication of the International Union of Biochemistry and Molecular Biology. PMID 27124101 DOI: 10.1002/Bmb.20975  0.696
2016 Miller DV, Brown AM, Xu H, Bevan DR, White RH. Purine Salvage in Methanocaldococcus jannaschii: Elucidating the Role of a Conserved Cysteine in Adenine Deaminase. Proteins. PMID 26990095 DOI: 10.1002/Prot.25033  0.576
2016 Congdon MD, Kharel Y, Brown AM, Lewis SN, Bevan DR, Lynch KR, Santos WL. Structure-Activity Relationship Studies and Molecular Modeling of Naphthalene-Based Sphingosine Kinase 2 Inhibitors. Acs Medicinal Chemistry Letters. 7: 229-34. PMID 26985306 DOI: 10.1021/Acsmedchemlett.5B00304  0.74
2015 Zhao X, Xiao S, Berk S, Brown AM, Bevan DR, Armstrong G, Capelluto DG. Structural Basis of Phosphoinositide (PIP) Recognition by the TIRAP PIP-Binding Motif Biophysical Journal. 108: 93a. DOI: 10.1016/J.Bpj.2014.11.539  0.611
2014 Brown AM, Lemkul JA, Schaum N, Bevan DR. Simulations of monomeric amyloid β-peptide (1-40) with varying solution conditions and oxidation state of Met35: implications for aggregation. Archives of Biochemistry and Biophysics. 545: 44-52. PMID 24418316 DOI: 10.1016/J.Abb.2014.01.002  0.714
2014 Gerben SR, Lemkul JA, Brown AM, Bevan DR. Comparing atomistic molecular mechanics force fields for a difficult target: a case study on the Alzheimer's amyloid β-peptide. Journal of Biomolecular Structure & Dynamics. 32: 1817-32. PMID 24028075 DOI: 10.1080/07391102.2013.838518  0.723
2011 Brown AM, Hoopes SL, White RH, Sarisky CA. Purine biosynthesis in archaea: variations on a theme. Biology Direct. 6: 63. PMID 22168471 DOI: 10.1186/1745-6150-6-63  0.699
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