List of works - David R. Bevan

A Cyanobacterial Hemoglobin with Unusual Ligand Binding Kinetics and Stability Properties†

scientific article published on 01 February 1999

A comparative molecular dynamics analysis of the amyloid beta-peptide in a lipid bilayer.

scientific article

A review of metabolic and enzymatic engineering strategies for designing and optimizing performance of microbial cell factories

scientific article

A salt-bridge controlled by ligand binding modulates the hydrolysis reaction in a GH5 endoglucanase ⬇️

scientific article published on March 13, 2012

A steroid receptor coactivator acts as the DNA-binding partner of the methoprene-tolerant protein in regulating juvenile hormone response genes.

scientific article

Abscisic Acid Regulates Inflammation via Ligand-binding Domain-independent Activation of Peroxisome Proliferator-activated Receptor γ ⬇️

scientific article published on November 18, 2010

Aggregation of Alzheimer’s Amyloid β-Peptide in Biological Membranes: A Molecular Dynamics Study ⬇️

scientific article published on July 15, 2013

Application of alkaline unwinding to analysis of strand breaks induced by bleomycin in hamster lung DNA in vivo

scientific article

Application of molecular modeling to analysis of inhibition of kinesin motor proteins of the BimC subfamily by monastrol and related compounds

scientific article

Asbestos-enhanced uptake of carcinogens (reply)

scientific article published in May 1979

Assessing the stability of Alzheimer's amyloid protofibrils using molecular dynamics

scientific article published in February 2010

Benzo[a]pyrene uptake into rat liver microsomes: Effects of adsorption of benzo[a]pyrene to asbestos and non-fibrous mineral particulates

scientific article published in February 1980

Bioavailability in vivo of benzo[a]pyrene adsorbed to diesel particulate

scientific article

Biophysical and molecular-dynamics studies of phosphatidic acid binding by the Dvl-2 DEP domain

scientific article

Characterization of Interactions between PilA from Pseudomonas aeruginosa Strain K and a Model Membrane ⬇️

scientific article published on June 23, 2011

Comparative characterization of the Arabidopsis subfamily a1 beta-galactosidases

scientific article

Comparing atomistic molecular mechanics force fields for a difficult target: a case study on the Alzheimer's amyloid β-peptide

scientific article

Compartmental analysis of the disposition of benzo[a]pyrene in rats

scientific article published in November 1988

Computational modeling-based discovery of novel classes of anti-inflammatory drugs that target lanthionine synthetase C-like protein 2

scientific article

Correlation between protein binding strength on immobilized metal affinity chromatography and the histidine-related protein surface structure

scientific article

Covalent binding of benzo[a]pyrene to macromolecules in lung and liver of rats following intratracheal instillation

scientific article published in August 1987

Crystal structure of a monocotyledon (maize ZMGlu1) beta-glucosidase and a model of its complex with p-nitrophenyl beta-D-thioglucoside

scientific article

Deletion of the N-terminal dirigent domain in maize beta-glucosidase aggregating factor and its homolog sorghum lectin dramatically alters the sugar-specificities of their lectin domains.

scientific article published on 31 March 2010

Determination of beta-glucosidase aggregating factor (BGAF) binding and polymerization regions on the maize beta-glucosidase isozyme Glu1.

scientific article published in July 2009

Development of a structured undergraduate research experience: Framework and implications

scientific article published on 28 April 2016

Effect of particulates on metabolism and mutagenicity of benzo[a]pyrene

scientific article

Effects of asbetos, iron oxide, silica, and carbon black on the microsomal availability of benzo[a]pyrene.

scientific article published on November 1979

Effects of particulate matter on rates of membrane uptake of polynuclear aromatic hydrocarbons

scientific article published in July 1981

Effects of protein microstructure on the retention time of T4 lysozyme variants in cation exchange chromatography

scientific article

Elution of Polycyclic Aromatic Hydrocarbons From Carbon Blacks Into Biomembranes in Vitro

scientific article published in January 1985

Examination of factors that may influence disposition of benzo[a]pyrene in vivo: vehicles and asbestos

scientific article published in May 1991

Fast identification of thermostable beta-glucosidase mutants on cellobiose by a novel combinatorial selection/screening approach

scientific article

Functional genomic analysis of Arabidopsis thaliana glycoside hydrolase family 1.

scientific article

Functional genomic analysis of Arabidopsis thaliana glycoside hydrolase family 35.

scientific article published on 26 April 2007

Fusion of phospholipid vesicles induced by Zn2+, Cd2+, and Hg2+.

scientific article published in April 1985

GridMAT-MD: a grid-based membrane analysis tool for use with molecular dynamics

scientific article

Herbivore-induced and floral homoterpene volatiles are biosynthesized by a single P450 enzyme (CYP82G1) in Arabidopsis ⬇️

scientific article published on November 18, 2010

Homolog of the maize beta-glucosidase aggregating factor from sorghum is a jacalin-related GalNAc-specific lectin but lacks protein aggregating activity.

scientific article published on 4 December 2008

In vitro technique to study elution of benzo[a]pyrene from particulates into biomembranes with application to woodstove particulates

scientific article published in October 1985

Influence of sequence and lipid type on membrane perturbation by human and rat amyloid β-peptide (1-42).

scientific article published on 21 November 2016

Lipid composition influences the release of Alzheimer's amyloid β-peptide from membranes.

scientific article

Lysine-81 and threonine-82 on maize beta-glucosidase isozyme Glu1 are the key amino acids involved in beta-glucosidase aggregating factor binding.

scientific article

Maize beta-glucosidase-aggregating factor is a polyspecific jacalin-related chimeric lectin, and its lectin domain is responsible for beta-glucosidase aggregation.

scientific article

Modeling the relationship between the p53 C-terminal domain and its binding partners using molecular dynamics.

scientific article

Molecular Dynamics Simulations of Amyloid β-Peptide (1-42): Tetramer Formation and Membrane Interactions

scientific article

Molecular docking of inhibitors into monoamine oxidase B.

scientific article

Molecular dynamics of the asymmetric dimers of EGFR: simulations on the active and inactive conformations of the kinase domain

scientific article

Molecular dynamics simulations of the d(CCAACGTTGG)(2) decamer: influence of the crystal environment.

scientific article

Molecular modeling of lanthionine synthetase component C-like protein 2: a potential target for the discovery of novel type 2 diabetes prophylactics and therapeutics

scientific article published on 30 May 2010

Molecular modeling of the elastomeric properties of repeating units and building blocks of resilin, a disordered elastic protein

scientific article

Morin inhibits the early stages of amyloid β-peptide aggregation by altering tertiary and quaternary interactions to produce "off-pathway" structures

scientific article published on 16 July 2012

Natural product-based amyloid inhibitors.

scientific article published on 05 April 2017

Perturbation of membranes by the amyloid beta-peptide--a molecular dynamics study

scientific article

Phosphorylation of PPARγ Affects the Collective Motions of the PPARγ-RXRα-DNA Complex

scientific article published on 8 May 2015

Probing the active site chemistry of β-glucosidases along the hydrolysis reaction pathway

scientific article published on 24 October 2012

Properties of β-thioglucoside hydrolases (TGG1 and TGG2) from leaves of Arabidopsis thaliana

scientific article published on 16 February 2012

Purine salvage in Methanocaldococcus jannaschii: Elucidating the role of a conserved cysteine in adenine deaminase

scientific article

Quantifying protein microstructure and electrostatic effects on the change in Gibbs free energy of binding in immobilized metal affinity chromatography

scientific article

Quinol diglucuronides are predominant conjugated metabolites found in bile of rats following intratracheal instillation of benzo[a]pyrene

scientific article

Scopolin-hydrolyzing beta-glucosidases in roots of Arabidopsis

scientific article published on 3 December 2009

Simulations of monomeric amyloid β-peptide (1-40) with varying solution conditions and oxidation state of Met35: implications for aggregation

scientific article

Spectroscopical and functional characterization of the hemoglobin of Nostoc commune (UTEX 584 (Cyanobacterial).

scientific article published in January 1996

Steered molecular dynamics identifies critical residues of the Nodamura virus B2 suppressor of RNAi

scientific article published on 19 February 2014

Steered molecular dynamics simulations reveal important mechanisms in reversible monoamine oxidase B inhibition

scientific article published on 29 June 2011

Structural determinants of substrate specificity in family 1 beta-glucosidases: novel insights from the crystal structure of sorghum dhurrinase-1, a plant beta-glucosidase with strict specificity, in complex with its natural substrate

scientific article published on 17 May 2004

Structural insights into rice BGlu1 beta-glucosidase oligosaccharide hydrolysis and transglycosylation

scientific article

Structure-Activity Relationship Studies and Molecular Modeling of Naphthalene-Based Sphingosine Kinase 2 Inhibitors

scientific article

Study and design of stability in GH5 cellulases.

scientific article

Synthesis and characterization of a fluorescence probe of the transition and dynamic properties of membranes

scientific article published in December 1983

The Arabidopsis At1g45130 and At3g52840 genes encode beta-galactosidases with activity toward cell wall polysaccharides

scientific article

The Role of Molecular Simulations in the Development of Inhibitors of Amyloid β-Peptide Aggregation for the Treatment of Alzheimer’s Disease ⬇️

scientific article published on August 27, 2012

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).

scientific article published in June 2000

The mechanism of substrate (aglycone) specificity in beta -glucosidases is revealed by crystal structures of mutant maize beta -glucosidase-DIMBOA, -DIMBOAGlc, and -dhurrin complexes

scientific article

Transforming Sphingosine Kinase 1 Inhibitors into Dual and Sphingosine Kinase 2 Selective Inhibitors: Design, Synthesis, and in Vivo Activity

scientific article

Transport of a carcinogen, benzo[a]pyrene, from particulates to lipid bilayersA model for the fate of particle-adsorbed polynuclear aromatic hydrocarbons which are retained in the lungs

scientific article published on 7 May 1980

Tyrosine aminotransferase: biochemical and structural properties and molecular dynamics simulations

scientific article

Virtual Screening as a Technique for PPAR Modulator Discovery

scientific article published on 2 September 2009

List of works by David R. Bevan

A Cyanobacterial Hemoglobin with Unusual Ligand Binding Kinetics and Stability Properties†

A comparative molecular dynamics analysis of the amyloid beta-peptide in a lipid bilayer.

A review of metabolic and enzymatic engineering strategies for designing and optimizing performance of microbial cell factories

A salt-bridge controlled by ligand binding modulates the hydrolysis reaction in a GH5 endoglucanase ⬇️

A steroid receptor coactivator acts as the DNA-binding partner of the methoprene-tolerant protein in regulating juvenile hormone response genes.

Abscisic Acid Regulates Inflammation via Ligand-binding Domain-independent Activation of Peroxisome Proliferator-activated Receptor γ ⬇️

Aggregation of Alzheimer’s Amyloid β-Peptide in Biological Membranes: A Molecular Dynamics Study ⬇️

Application of alkaline unwinding to analysis of strand breaks induced by bleomycin in hamster lung DNA in vivo

Application of molecular modeling to analysis of inhibition of kinesin motor proteins of the BimC subfamily by monastrol and related compounds

Asbestos-enhanced uptake of carcinogens (reply)

Assessing the stability of Alzheimer's amyloid protofibrils using molecular dynamics

Benzo[a]pyrene uptake into rat liver microsomes: Effects of adsorption of benzo[a]pyrene to asbestos and non-fibrous mineral particulates

Bioavailability in vivo of benzo[a]pyrene adsorbed to diesel particulate

Biophysical and molecular-dynamics studies of phosphatidic acid binding by the Dvl-2 DEP domain

Characterization of Interactions between PilA from Pseudomonas aeruginosa Strain K and a Model Membrane ⬇️

Comparative characterization of the Arabidopsis subfamily a1 beta-galactosidases

Comparing atomistic molecular mechanics force fields for a difficult target: a case study on the Alzheimer's amyloid β-peptide

Compartmental analysis of the disposition of benzo[a]pyrene in rats

Computational modeling-based discovery of novel classes of anti-inflammatory drugs that target lanthionine synthetase C-like protein 2

Correlation between protein binding strength on immobilized metal affinity chromatography and the histidine-related protein surface structure

Covalent binding of benzo[a]pyrene to macromolecules in lung and liver of rats following intratracheal instillation

Crystal structure of a monocotyledon (maize ZMGlu1) beta-glucosidase and a model of its complex with p-nitrophenyl beta-D-thioglucoside

Deletion of the N-terminal dirigent domain in maize beta-glucosidase aggregating factor and its homolog sorghum lectin dramatically alters the sugar-specificities of their lectin domains.

Determination of beta-glucosidase aggregating factor (BGAF) binding and polymerization regions on the maize beta-glucosidase isozyme Glu1.

Development of a structured undergraduate research experience: Framework and implications

Effect of particulates on metabolism and mutagenicity of benzo[a]pyrene

Effects of asbetos, iron oxide, silica, and carbon black on the microsomal availability of benzo[a]pyrene.

Effects of particulate matter on rates of membrane uptake of polynuclear aromatic hydrocarbons

Effects of protein microstructure on the retention time of T4 lysozyme variants in cation exchange chromatography

Elution of Polycyclic Aromatic Hydrocarbons From Carbon Blacks Into Biomembranes in Vitro

Examination of factors that may influence disposition of benzo[a]pyrene in vivo: vehicles and asbestos

Fast identification of thermostable beta-glucosidase mutants on cellobiose by a novel combinatorial selection/screening approach

Functional genomic analysis of Arabidopsis thaliana glycoside hydrolase family 1.

Functional genomic analysis of Arabidopsis thaliana glycoside hydrolase family 35.

Fusion of phospholipid vesicles induced by Zn2+, Cd2+, and Hg2+.

GridMAT-MD: a grid-based membrane analysis tool for use with molecular dynamics

Herbivore-induced and floral homoterpene volatiles are biosynthesized by a single P450 enzyme (CYP82G1) in Arabidopsis ⬇️

Homolog of the maize beta-glucosidase aggregating factor from sorghum is a jacalin-related GalNAc-specific lectin but lacks protein aggregating activity.

In vitro technique to study elution of benzo[a]pyrene from particulates into biomembranes with application to woodstove particulates

Influence of sequence and lipid type on membrane perturbation by human and rat amyloid β-peptide (1-42).

Lipid composition influences the release of Alzheimer's amyloid β-peptide from membranes.

Lysine-81 and threonine-82 on maize beta-glucosidase isozyme Glu1 are the key amino acids involved in beta-glucosidase aggregating factor binding.

Maize beta-glucosidase-aggregating factor is a polyspecific jacalin-related chimeric lectin, and its lectin domain is responsible for beta-glucosidase aggregation.

Modeling the relationship between the p53 C-terminal domain and its binding partners using molecular dynamics.

Molecular Dynamics Simulations of Amyloid β-Peptide (1-42): Tetramer Formation and Membrane Interactions

Molecular docking of inhibitors into monoamine oxidase B.

Molecular dynamics of the asymmetric dimers of EGFR: simulations on the active and inactive conformations of the kinase domain

Molecular dynamics simulations of the d(CCAACGTTGG)(2) decamer: influence of the crystal environment.

Molecular modeling of lanthionine synthetase component C-like protein 2: a potential target for the discovery of novel type 2 diabetes prophylactics and therapeutics

Molecular modeling of the elastomeric properties of repeating units and building blocks of resilin, a disordered elastic protein

Morin inhibits the early stages of amyloid β-peptide aggregation by altering tertiary and quaternary interactions to produce "off-pathway" structures

Natural product-based amyloid inhibitors.

Perturbation of membranes by the amyloid beta-peptide--a molecular dynamics study

Phosphorylation of PPARγ Affects the Collective Motions of the PPARγ-RXRα-DNA Complex

Probing the active site chemistry of β-glucosidases along the hydrolysis reaction pathway

Properties of β-thioglucoside hydrolases (TGG1 and TGG2) from leaves of Arabidopsis thaliana

Purine salvage in Methanocaldococcus jannaschii: Elucidating the role of a conserved cysteine in adenine deaminase

Quantifying protein microstructure and electrostatic effects on the change in Gibbs free energy of binding in immobilized metal affinity chromatography

Quinol diglucuronides are predominant conjugated metabolites found in bile of rats following intratracheal instillation of benzo[a]pyrene

Scopolin-hydrolyzing beta-glucosidases in roots of Arabidopsis

Simulations of monomeric amyloid β-peptide (1-40) with varying solution conditions and oxidation state of Met35: implications for aggregation

Spectroscopical and functional characterization of the hemoglobin of Nostoc commune (UTEX 584 (Cyanobacterial).

Steered molecular dynamics identifies critical residues of the Nodamura virus B2 suppressor of RNAi

Steered molecular dynamics simulations reveal important mechanisms in reversible monoamine oxidase B inhibition

Structural determinants of substrate specificity in family 1 beta-glucosidases: novel insights from the crystal structure of sorghum dhurrinase-1, a plant beta-glucosidase with strict specificity, in complex with its natural substrate

Structural insights into rice BGlu1 beta-glucosidase oligosaccharide hydrolysis and transglycosylation

Structure-Activity Relationship Studies and Molecular Modeling of Naphthalene-Based Sphingosine Kinase 2 Inhibitors

Study and design of stability in GH5 cellulases.

Synthesis and characterization of a fluorescence probe of the transition and dynamic properties of membranes

The Arabidopsis At1g45130 and At3g52840 genes encode beta-galactosidases with activity toward cell wall polysaccharides

The Role of Molecular Simulations in the Development of Inhibitors of Amyloid β-Peptide Aggregation for the Treatment of Alzheimer’s Disease ⬇️

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 mechanism of substrate (aglycone) specificity in beta -glucosidases is revealed by crystal structures of mutant maize beta -glucosidase-DIMBOA, -DIMBOAGlc, and -dhurrin complexes

Transforming Sphingosine Kinase 1 Inhibitors into Dual and Sphingosine Kinase 2 Selective Inhibitors: Design, Synthesis, and in Vivo Activity

Transport of a carcinogen, benzo[a]pyrene, from particulates to lipid bilayersA model for the fate of particle-adsorbed polynuclear aromatic hydrocarbons which are retained in the lungs

Tyrosine aminotransferase: biochemical and structural properties and molecular dynamics simulations

Virtual Screening as a Technique for PPAR Modulator Discovery