Chemistry

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45th Annual Naff Symposium

8:00am

WT Young Library / JSB

12

Blood-brain Barrier Transport of Insulin: Links to...

11:00am

William Banks

CP-114

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Department of Chemistry Seminar

4:00pm

Domink Heger

CP-114

Tuesday

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Nanostructured semi-conductive interfaces for real...

4:00pm

Priscilla Baker

CP-114

26

Department of Chemistry Seminar

12:00pm

John Rohloff

CP-114

26

Graduation Celebration & Student Awards Ceremony

3:30pm

JSB 121

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22nd Annual Lyle Ramsay Dawson Lecture

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2018 Regional Undergraduate Poster Competition

2018 Chemistry Graduation and Student Awards Ceremony

2018 Naff Symposium

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Chemistry Faculty Poster Session

2017 Regional Undergraduate Poster Competition

2017 Chemistry Graduation and Student Awards Ceremony

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Faculty Awards and Recognition Ceremony 2017

Naff Symposium 2017

STEM Night at Veterans Park Elementary

2016 Dawson Lecture and Chemistry Reunion

Dedication of the Don & Cathy Jacobs Science Building

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Organic Compounds for Advanced Batteries

About the UK Neuroscience Program

Topping Off the Academic Science Building

Biology and Chemistry Chairs Onsite at the Academic Science Building

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Jeff Babbitt, Scientific Glassblower

Arts & Sciences Hall of Fame 2014

A&S Hall of Fame 2014 - Dr. George H. Scherr

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The Right Vintage: Sitting Down with A&S Alum Robert Young

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STEMCats: Assisting with Science

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New Faculty 2014: Meet Chad Risko

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New Faculty 2014: Meet Peter Kekenes-Huskey

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New Faculty 2014: Meet Kenneth Graham

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Research Rewarded: Marcelo Guzman

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Following the Campaign Trail: Currents Fall 2012

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DNA Criminology and Chemistry: John Brown

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Recent Chemistry Publications

Chun, BJ ; Stewart, BD ; Vaughan, DD ; Bachstetter, AD ; Kekenes-Huskey, PM "Simulation of P2X-mediated calcium signalling in microglia." The Journal of physiology 2019, 597, 3 799-818.

Sun, B ; Stewart, BD ; Kucharski, AN ; Kekenes-Huskey, PM "Thermodynamics of Cation Binding to the Sarcoendoplasmic Reticulum Calcium ATPase Pump and Impacts on Enzyme Function." Journal of chemical theory and computation 2019,

Stewart, BD ; Scott, CE ; McCoy, TP ; Yin, G ; Despa, F ; Despa, S ; Kekenes-Huskey, PM "Computational modeling of amylin-induced calcium dysregulation in rat ventricular cardiomyocytes." Cell calcium 2018, 71, 65-74.

Sun, B ; Cook, EC ; Creamer, TP ; Kekenes-Huskey, PM "Electrostatic control of calcineurin's intrinsically-disordered regulatory domain binding to calmodulin." Biochimica et biophysica acta. General subjects 2018, 1862, 12 2651-2659.

Gayton, J ; Autry, SA ; Meador, W ; Parkin, S.; Hill, GA ; Hammer, NI ; Delcamp, JH "Indolizine-Cyanine Dyes: Near Infrared Emissive Cyanine Dyes with Increased Stokes Shifts" Journal of Organic Chemistry 2018,

Shariaty, D.A. ; Cheng, Y.T. ; Odom, S.A. "Application of Cross-Linked Polyborosiloxanes and Organically Modified Boron Silicate Binders in Silicon-Containing Anodes for Lithium-ion Batteries" Journal of the Electrochemical Society 2018, 165, A731-A735.

Uddin, Md Aslam; Calabro, Rosemary L.; Kim, Doo-Young ; Graham, Kenneth R. "Halide exchange and surface modification of metal halide perovskite nanocrystals with alkyltrichlorosilanes" Nanoscale 2018,

Scott, CE ; Kekenes-Huskey, PM "Molecular Basis of S100A1 Activation at Saturating and Subsaturating Calcium Concentrations." Biophysical journal 2016, 110, 5 1052-63.

Scott, CE ; Kekenes-Huskey, PM "Molecular Basis of S100A1 Activation at Saturating and Subsaturating Calcium Concentrations." Biophysical journal 2016, 110, 8 1907.

Kucharski, AN ; Scott, CE ; Davis, JP ; Kekenes-Huskey, PM "Understanding Ion Binding Affinity and Selectivity in β-Parvalbumin Using Molecular Dynamics and Mean Spherical Approximation Theory." The journal of physical chemistry. B 2016, 120, 33 8617-30.

Kekenes-Huskey, PM ; Scott, CE ; Atalay, S "Quantifying the Influence of the Crowded Cytoplasm on Small Molecule Diffusion." The journal of physical chemistry. B 2016, 120, 33 8696-706.

Lindert, S ; Cheng, Y.; Kekenes-Huskey, P ; Regnier, M ; McCammon, JA "Effects of HCM cTnI mutation R145G on troponin structure and modulation by PKA phosphorylation elucidated by molecular dynamics simulations." Biophysical journal 2015, 108, 2 395-407.

Kekenes-Huskey, PM ; Gillette, AK ; McCammon, JA "Erratum: "Predicting the influence of long-range molecular interactions on macroscopic-scale diffusion by homogenization of the Smoluchowski equation" J. Chem. Phys. 140, 174106 (2014) ." The Journal of chemical physics 2015, 142, 10 109902.

Kekenes-Huskey, PM ; Eun, C ; McCammon, JA "Enzyme localization, crowding, and buffers collectively modulate diffusion-influenced signal transduction: Insights from continuum diffusion modeling." The Journal of chemical physics 2015, 143, 9 094103.

Hake, J ; Kekenes-Huskey, PM ; McCulloch, AD "Computational modeling of subcellular transport and signaling." Current opinion in structural biology 2014, 25, 92-7.

Eun, C ; Kekenes-Huskey, PM ; Metzger, VT ; McCammon, JA "A model study of sequential enzyme reactions and electrostatic channeling." The Journal of chemical physics 2014, 140, 10 105101.

Kekenes-Huskey, PM ; Gillette, AK ; McCammon, JA "Predicting the influence of long-range molecular interactions on macroscopic-scale diffusion by homogenization of the Smoluchowski equation." The Journal of chemical physics 2014, 140, 17 174106.

Cheng, Y.; Lindert, S ; Kekenes-Huskey, P ; Rao, VS ; Solaro, RJ ; Rosevear, PR ; Amaro, R ; McCulloch, AD ; McCammon, JA ; Regnier, M "Computational studies of the effect of the S23D/S24D troponin I mutation on cardiac troponin structural dynamics." Biophysical journal 2014, 107, 7 1675-85.

Metzger, VT ; Eun, C ; Kekenes-Huskey, PM ; Huber, G ; McCammon, JA "Electrostatic channeling in P. falciparum DHFR-TS: Brownian dynamics and Smoluchowski modeling." Biophysical journal 2014, 107, 10 2394-402.

Wang, N ; Zhou, S ; Kekenes-Huskey, PM ; Li, B.; McCammon, JA "Poisson-Boltzmann versus Size-Modified Poisson-Boltzmann Electrostatics Applied to Lipid Bilayers." The journal of physical chemistry. B 2014, 118, 51 14827-32.

Eun, C ; Kekenes-Huskey, PM ; McCammon, JA "Influence of neighboring reactive particles on diffusion-limited reactions." The Journal of chemical physics 2013, 139, 4 044117.

Kekenes-Huskey, PM ; Liao, T ; Gillette, AK ; Hake, JE ; Zhang, Y.; Michailova, AP ; McCulloch, AD ; McCammon, JA "Molecular and subcellular-scale modeling of nucleotide diffusion in the cardiac myofilament lattice." Biophysical journal 2013, 105, 9 2130-40.

Liao, T ; Zhang, Y.; Kekenes-Huskey, PM ; Cheng, Y.; Michailova, A ; McCulloch, AD ; Holst, M ; McCammon, JA "Multi-core CPU or GPU-accelerated Multiscale Modeling for Biomolecular Complexes." Molecular Based Mathematical Biology (Online) 2013, 1,

Lindert, S ; Kekenes-Huskey, PM ; Huber, G ; Pierce, L ; McCammon, JA "Dynamics and calcium association to the N-terminal regulatory domain of human cardiac troponin C: a multiscale computational study." The journal of physical chemistry. B 2012, 116, 29 8449-59.

Hake, J ; Edwards, AG ; Yu, Z.; Kekenes-Huskey, PM ; Michailova, AP ; McCammon, JA ; Holst, MJ ; Hoshijima, M ; McCulloch, AD "Modelling cardiac calcium sparks in a three-dimensional reconstruction of a calcium release unit." The Journal of physiology 2012, 590, 18 4403-22.

Kekenes-Huskey, PM ; Metzger, VT ; Grant, BJ ; McCammon, Andrew "Calcium binding and allosteric signaling mechanisms for the sarcoplasmic reticulum Ca²+ ATPase." Protein science : a publication of the Protein Society 2012, 21, 10 1429-43.

Lindert, S ; Kekenes-Huskey, PM ; McCammon, JA "Long-timescale molecular dynamics simulations elucidate the dynamics and kinetics of exposure of the hydrophobic patch in troponin C." Biophysical journal 2012, 103, 8 1784-9.

Kekenes-Huskey, PM ; Gillette, A ; Hake, J ; McCammon, JA "Finite Element Estimation of Protein-Ligand Association Rates with Post-Encounter Effects: Applications to Calcium binding in Troponin C and SERCA." Computational science & discovery 2012, 5,

Cheng, Y.; Kekenes-Huskey, P ; Hake, J ; Holst, M ; McCammon, J ; Michailova, A "Multi-Scale Continuum Modeling of Biological Processes: From Molecular Electro-Diffusion to Sub-Cellular Signaling Transduction." Computational science & discovery 2012, 5, 1

Barone, E.; Cenini, G.; Di Domenico, F.; Martin, S.; Sultana, R.; Mancuso, C.; Murphy, MP ; Head, E.; Butterfield, DA "Long-term high-dose atorvastatin decreases brain oxidative and nitrosative stress in a preclinical model of Alzheimer disease: a novel mechanism of action." Pharmacological research : the official journal of the Italian Pharmacological Society 2011, 63, 3 172-80.