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 |
0.643 |
|
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 |
0.669 |
|
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 |
0.652 |
|
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 |
0.621 |
|
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 |
0.615 |
|
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 |
0.631 |
|
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 |
0.638 |
|
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 |
0.651 |
|
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 |
0.627 |
|
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 |
0.669 |
|
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 |
0.735 |
|
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 |
0.672 |
|
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 |
0.75 |
|
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 |
0.657 |
|
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 |
0.644 |
|
2017 |
Velander P, Wu L, Henderson F, Zhang S, Bevan DR, Xu B. Natural Product-Based Amyloid Inhibitors. Biochemical Pharmacology. PMID 28390938 DOI: 10.1016/J.Bcp.2017.04.004 |
0.379 |
|
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 |
0.677 |
|
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 |
0.696 |
|
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 |
0.737 |
|
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 |
0.644 |
|
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 |
0.778 |
|
2016 |
Khandaker MS, Dudek DM, Beers EP, Dillard DA, Bevan DR. Molecular modeling of the elastomeric properties of repeating units and building blocks of resilin, a disordered elastic protein. Journal of the Mechanical Behavior of Biomedical Materials. 61: 110-121. PMID 26851528 DOI: 10.1016/J.Jmbbm.2016.01.017 |
0.329 |
|
2015 |
Lemkul JA, Lewis SN, Bassaganya-Riera J, Bevan DR. Phosphorylation of PPARγ Affects the Collective Motions of the PPARγ-RXRα-DNA Complex. Plos One. 10: e0123984. PMID 25954810 DOI: 10.1371/Journal.Pone.0123984 |
0.765 |
|
2015 |
Songtawee N, Bevan DR, Choowongkomon K. Molecular dynamics of the asymmetric dimers of EGFR: simulations on the active and inactive conformations of the kinase domain. Journal of Molecular Graphics & Modelling. 58: 16-29. PMID 25805329 DOI: 10.1016/J.Jmgm.2015.03.002 |
0.349 |
|
2015 |
Lewis SN, Garcia Z, Hontecillas R, Bassaganya-Riera J, Bevan DR. Pharmacophore modeling improves virtual screening for novel peroxisome proliferator-activated receptor-gamma ligands. Journal of Computer-Aided Molecular Design. 29: 421-39. PMID 25616366 DOI: 10.1007/S10822-015-9831-X |
0.7 |
|
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 |
0.683 |
|
2014 |
Li M, Liu P, Wiley JD, Ojani R, Bevan DR, Li J, Zhu J. A steroid receptor coactivator acts as the DNA-binding partner of the methoprene-tolerant protein in regulating juvenile hormone response genes. Molecular and Cellular Endocrinology. 394: 47-58. PMID 25004255 DOI: 10.1016/J.Mce.2014.06.021 |
0.308 |
|
2014 |
Capelluto DG, Zhao X, Lucas A, Lemkul JA, Xiao S, Fu X, Sun F, Bevan DR, Finkielstein CV. Biophysical and molecular-dynamics studies of phosphatidic acid binding by the Dvl-2 DEP domain. Biophysical Journal. 106: 1101-11. PMID 24606934 DOI: 10.1016/J.Bpj.2014.01.032 |
0.655 |
|
2014 |
Allen WJ, Wiley MR, Myles KM, Adelman ZN, Bevan DR. Steered molecular dynamics identifies critical residues of the Nodamura virus B2 suppressor of RNAi Journal of Molecular Modeling. 20: 2092. PMID 24549790 DOI: 10.1007/S00894-014-2092-0 |
0.303 |
|
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 |
0.758 |
|
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 |
0.765 |
|
2013 |
Lemkul JA, Bevan DR. Aggregation of Alzheimer's amyloid β-peptide in biological membranes: a molecular dynamics study. Biochemistry. 52: 4971-80. PMID 23855340 DOI: 10.1021/Bi400562X |
0.674 |
|
2012 |
Lemkul JA, Bevan DR. The role of molecular simulations in the development of inhibitors of amyloid β-peptide aggregation for the treatment of Alzheimer's disease. Acs Chemical Neuroscience. 3: 845-56. PMID 23173066 DOI: 10.1021/Cn300091A |
0.679 |
|
2012 |
Badieyan S, Bevan DR, Zhang C. Probing the active site chemistry of β-glucosidases along the hydrolysis reaction pathway. Biochemistry. 51: 8907-18. PMID 23043218 DOI: 10.1021/Bi300675X |
0.309 |
|
2012 |
Lemkul JA, Bevan DR. Morin inhibits the early stages of amyloid β-peptide aggregation by altering tertiary and quaternary interactions to produce "off-pathway" structures. Biochemistry. 51: 5990-6009. PMID 22762350 DOI: 10.1021/Bi300113X |
0.685 |
|
2012 |
Lu P, Hontecillas R, Horne WT, Carbo A, Viladomiu M, Pedragosa M, Bevan DR, Lewis SN, Bassaganya-Riera J. Computational modeling-based discovery of novel classes of anti-inflammatory drugs that target lanthionine synthetase C-like protein 2. Plos One. 7: e34643. PMID 22509338 DOI: 10.1371/Journal.Pone.0034643 |
0.703 |
|
2012 |
Badieyan S, Bevan DR, Zhang C. A salt-bridge controlled by ligand binding modulates the hydrolysis reaction in a GH5 endoglucanase. Protein Engineering, Design & Selection : Peds. 25: 223-33. PMID 22419828 DOI: 10.1093/Protein/Gzs010 |
0.327 |
|
2012 |
Badieyan S, Bevan DR, Zhang C. Study and design of stability in GH5 cellulases. Biotechnology and Bioengineering. 109: 31-44. PMID 21809329 DOI: 10.1002/Bit.23280 |
0.329 |
|
2011 |
Lewis SN, Brannan L, Guri AJ, Lu P, Hontecillas R, Bassaganya-Riera J, Bevan DR. Dietary α-eleostearic acid ameliorates experimental inflammatory bowel disease in mice by activating peroxisome proliferator-activated receptor-γ. Plos One. 6: e24031. PMID 21904603 DOI: 10.1371/Journal.Pone.0024031 |
0.698 |
|
2011 |
Lemkul JA, Bevan DR. Lipid composition influences the release of Alzheimer's amyloid β-peptide from membranes. Protein Science : a Publication of the Protein Society. 20: 1530-45. PMID 21692120 DOI: 10.1002/Pro.678 |
0.674 |
|
2011 |
Allen WJ, Bevan DR. Steered molecular dynamics simulations reveal important mechanisms in reversible monoamine oxidase B inhibition Biochemistry. 50: 6441-6454. PMID 21682347 DOI: 10.1021/Bi200446W |
0.377 |
|
2011 |
Lemkul JA, Bevan DR. Characterization of interactions between PilA from Pseudomonas aeruginosa strain K and a model membrane. The Journal of Physical Chemistry. B. 115: 8004-8. PMID 21630674 DOI: 10.1021/Jp202217F |
0.649 |
|
2011 |
Bassaganya-Riera J, Guri AJ, Lu P, Climent M, Carbo A, Sobral BW, Horne WT, Lewis SN, Bevan DR, Hontecillas R. Abscisic acid regulates inflammation via ligand-binding domain-independent activation of peroxisome proliferator-activated receptor gamma. The Journal of Biological Chemistry. 286: 2504-16. PMID 21088297 DOI: 10.1074/Jbc.M110.160077 |
0.699 |
|
2011 |
Lu P, Bevan DR, Lewis SN, Hontecillas R, Bassaganya-Riera J. Molecular modeling of lanthionine synthetase component C-like protein 2: a potential target for the discovery of novel type 2 diabetes prophylactics and therapeutics. Journal of Molecular Modeling. 17: 543-53. PMID 20512604 DOI: 10.1007/S00894-010-0748-Y |
0.715 |
|
2010 |
Mehere P, Han Q, Lemkul JA, Vavricka CJ, Robinson H, Bevan DR, Li J. Tyrosine aminotransferase: biochemical and structural properties and molecular dynamics simulations. Protein & Cell. 1: 1023-32. PMID 21153519 DOI: 10.1007/S13238-010-0128-5 |
0.649 |
|
2010 |
Lemkul JA, Allen WJ, Bevan DR. Practical considerations for building GROMOS-compatible small-molecule topologies Journal of Chemical Information and Modeling. 50: 2221-2235. PMID 21117688 DOI: 10.1021/Ci100335W |
0.617 |
|
2010 |
Allen WJ, Capelluto DG, Finkielstein CV, Bevan DR. Modeling the relationship between the p53 C-terminal domain and its binding partners using molecular dynamics. The Journal of Physical Chemistry. B. 114: 13201-13. PMID 20873738 DOI: 10.1021/Jp1011445 |
0.311 |
|
2010 |
Lemkul JA, Bevan DR. Destabilizing Alzheimer's Abeta(42) protofibrils with morin: mechanistic insights from molecular dynamics simulations. Biochemistry. 49: 3935-46. PMID 20369844 DOI: 10.1021/Bi1000855 |
0.669 |
|
2010 |
Lemkul JA, Bevan DR. Assessing the stability of Alzheimer's amyloid protofibrils using molecular dynamics. The Journal of Physical Chemistry. B. 114: 1652-60. PMID 20055378 DOI: 10.1021/Jp9110794 |
0.67 |
|
2010 |
Lewis SN, Bassaganya-Riera J, Bevan DR. Virtual Screening as a Technique for PPAR Modulator Discovery. Ppar Research. 2010: 861238. PMID 19746174 DOI: 10.1155/2010/861238 |
0.695 |
|
2009 |
Lemkul JA, Bevan DR. Perturbation of membranes by the amyloid beta-peptide--a molecular dynamics study. The Febs Journal. 276: 3060-75. PMID 19490108 DOI: 10.1111/J.1742-4658.2009.07024.X |
0.663 |
|
2009 |
Yu HY, Kittur FS, Bevan DR, Esen A. Lysine-81 and threonine-82 on maize beta-glucosidase isozyme Glu1 are the key amino acids involved in beta-glucosidase aggregating factor binding. Biochemistry. 48: 2924-32. PMID 19227973 DOI: 10.1021/Bi900012H |
0.309 |
|
2009 |
Allen WJ, Lemkul JA, Bevan DR. GridMAT-MD: A grid-based membrane analysis tool for use with molecular dynamics Journal of Computational Chemistry. 30: 1952-1958. PMID 19090582 DOI: 10.1002/Jcc.21172 |
0.642 |
|
2009 |
Kittur FS, Yu HY, Bevan DR, Esen A. Homolog of the maize beta-glucosidase aggregating factor from sorghum is a jacalin-related GalNAc-specific lectin but lacks protein aggregating activity. Glycobiology. 19: 277-87. PMID 19056785 DOI: 10.1093/Glycob/Cwn132 |
0.346 |
|
2008 |
Pathange LP, Bevan DR, Zhang C. Quantifying protein microstructure and electrostatic effects on the change in Gibbs free energy of binding in immobilized metal affinity chromatography. Analytical Chemistry. 80: 1628-40. PMID 18229947 DOI: 10.1021/Ac7023188 |
0.331 |
|
2008 |
Lemkul JA, Bevan DR. A comparative molecular dynamics analysis of the amyloid beta-peptide in a lipid bilayer. Archives of Biochemistry and Biophysics. 470: 54-63. PMID 18053791 DOI: 10.1016/J.Abb.2007.11.004 |
0.669 |
|
2007 |
Harkcom WT, Bevan DR. Molecular docking of inhibitors into monoamine oxidase B. Biochemical and Biophysical Research Communications. 360: 401-6. PMID 17597580 DOI: 10.1016/J.Bbrc.2007.06.055 |
0.305 |
|
2007 |
Kittur FS, Lalgondar M, Yu HY, Bevan DR, Esen A. Maize beta-glucosidase-aggregating factor is a polyspecific jacalin-related chimeric lectin, and its lectin domain is responsible for beta-glucosidase aggregation. The Journal of Biological Chemistry. 282: 7299-311. PMID 17210577 DOI: 10.1074/Jbc.M607417200 |
0.312 |
|
2006 |
Pathange LP, Bevan DR, Larson TJ, Zhang C. Correlation between protein binding strength on immobilized metal affinity chromatography and the histidine-related protein surface structure. Analytical Chemistry. 78: 4443-9. PMID 16808452 DOI: 10.1021/Ac060217X |
0.312 |
|
2006 |
Dana CD, Bevan DR, Winkel BS. Molecular modeling of the effects of mutant alleles on chalcone synthase protein structure. Journal of Molecular Modeling. 12: 905-14. PMID 16575575 DOI: 10.1007/S00894-005-0071-1 |
0.353 |
|
2005 |
Bevan DR, Garst JF, Osborne CK, Sims AM. Application of molecular modeling to analysis of inhibition of kinesin motor proteins of the BimC subfamily by monastrol and related compounds. Chemistry & Biodiversity. 2: 1525-32. PMID 17191952 DOI: 10.1002/Cbdv.200590124 |
0.371 |
|
2003 |
Verdoucq L, Czjzek M, Moriniere J, Bevan DR, Esen A. Mutational and structural analysis of aglycone specificity in maize and sorghum beta-glucosidases. The Journal of Biological Chemistry. 278: 25055-62. PMID 12684498 DOI: 10.1074/Jbc.M301978200 |
0.3 |
|
2001 |
Czjzek M, Cicek M, Zamboni V, Burmeister WP, Bevan DR, Henrissat B, Esen A. Crystal structure of a monocotyledon (maize ZMGlu1) beta-glucosidase and a model of its complex with p-nitrophenyl beta-D-thioglucoside. The Biochemical Journal. 354: 37-46. PMID 11171077 DOI: 10.1042/0264-6021:3540037 |
0.302 |
|
2000 |
Cicek M, Blanchard D, Bevan DR, Esen A. The aglycone specificity-determining sites are different in 2, 4-dihydroxy-7-methoxy-1,4-benzoxazin-3-one (DIMBOA)-glucosidase (Maize beta -glucosidase) and dhurrinase (Sorghum beta -glucosidase). The Journal of Biological Chemistry. 275: 20002-11. PMID 10748038 DOI: 10.1074/Jbc.M001609200 |
0.304 |
|
Show low-probability matches. |