Publications by authors named "Gary Huber"

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Multiscale modeling shows how 2'-deoxy-ATP rescues ventricular function in heart failure.
Abigail E Teitgen, Marcus T Hock, Kimberly J McCabe, Matthew C Childers, Gary A Huber

Proc Natl Acad Sci U S A· August 2024

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Multiscale computational modeling of the effects of 2'-deoxy-ATP on cardiac muscle calcium handling.
Marcus T Hock, Abigail E Teitgen, Kimberly J McCabe, Sophia P Hirakis, Gary A Huber

J Appl Phys· August 2023

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Investigating Intrinsically Disordered Proteins With Brownian Dynamics.
Surl-Hee Ahn, Gary A Huber, J Andrew McCammon

Front Mol Biosci· June 2022

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Multiscale Simulations Examining Glycan Shield Effects on Drug Binding to Influenza Neuraminidase.
Christian Seitz, Lorenzo Casalino, Robert Konecny, Gary Huber, Rommie E Amaro

Biophys J· December 2020

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Predicting the effects of dATP on cardiac contraction using multiscale modeling of the sarcomere.
Kimberly J McCabe, Yasser Aboelkassem, Abigail E Teitgen, Gary A Huber, J Andrew McCammon

Arch Biochem Biophys· November 2020

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A Stochastic Multiscale Model of Cardiac Thin Filament Activation Using Brownian-Langevin Dynamics.
Yasser Aboelkassem, Kimberly J McCabe, Gary A Huber, Michael Regnier, J Andrew McCammon

Biophys J· December 2019

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Brownian Dynamics Simulations of Biological Molecules.
Gary A Huber, J Andrew McCammon

Trends Chem· November 2019

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A Computational Assay that Explores the Hemagglutinin/Neuraminidase Functional Balance Reveals the Neuraminidase Secondary Site as a Novel Anti-Influenza Target.
Rommie E Amaro, Pek U Ieong, Gary Huber, Abigail Dommer, Alasdair C Steven

ACS Cent Sci· November 2018

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HIERARCHICAL ORTHOGONAL MATRIX GENERATION AND MATRIX-VECTOR MULTIPLICATIONS IN RIGID BODY SIMULATIONS.
Fuhui Fang, Jingfang Huang, Gary Huber, J Andrew McCammon, B O Zhang

SIAM J Sci Comput· May 2018

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Brownian dynamic study of an enzyme metabolon in the TCA cycle: Substrate kinetics and channeling.
Yu-Ming M Huang, Gary A Huber, Nuo Wang, Shelley D Minteer, J Andrew McCammon

Protein Sci· February 2018

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Electrostatic Steering Accelerates C3d:CR2 Association.
Rohith R Mohan, Gary A Huber, Dimitrios Morikis

J Phys Chem B· August 2016

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Hybrid finite element and Brownian dynamics method for charged particles.
Gary A Huber, Yinglong Miao, Shenggao Zhou, Bo Li, J Andrew McCammon

J Chem Phys· April 2016

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Electrostatic steering enhances the rate of cAMP binding to phosphodiesterase: Brownian dynamics modeling.
Yu-ming M Huang, Gary Huber, J Andrew McCammon

Protein Sci· November 2015

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Electrostatic channeling in P. falciparum DHFR-TS: Brownian dynamics and Smoluchowski modeling.
Vincent T Metzger, Changsun Eun, Peter M Kekenes-Huskey, Gary Huber, J Andrew McCammon

Biophys J· November 2014

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Assessing the two-body diffusion tensor calculated by the bead models.
Nuo Wang, Gary A Huber, J Andrew McCammon

J Chem Phys· May 2013

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Dynamics and calcium association to the N-terminal regulatory domain of human cardiac troponin C: a multiscale computational study.
Steffen Lindert, Peter M Kekenes-Huskey, Gary Huber, Levi Pierce, J Andrew McCammon

J Phys Chem B· July 2012

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Hybrid finite element and Brownian dynamics method for diffusion-controlled reactions.
Patricia Bauler, Gary A Huber, J Andrew McCammon

J Chem Phys· April 2012

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Electrostatically biased binding of kinesin to microtubules.
Barry J Grant, Dana M Gheorghe, Wenjun Zheng, Maria Alonso, Gary Huber

PLoS Biol· November 2011

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Brownian dynamics study of the association between the 70S ribosome and elongation factor G.
Maciej Długosz, Gary A Huber, J Andrew McCammon, Joanna Trylska

Biopolymers· September 2011

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Browndye: A Software Package for Brownian Dynamics.
Gary A Huber, J Andrew McCammon

Comput Phys Commun· November 2010

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Solvation Effect on the Conformations of Alanine Dipeptide: Integral Equation Approach.
Ryosuke Ishizuka, Gary A Huber, J Andrew McCammon

J Phys Chem Lett· August 2010

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Channeling by Proximity: The Catalytic Advantages of Active Site Colocalization Using Brownian Dynamics.
Patricia Bauler, Gary Huber, Thomas Leyh, J Andrew McCammon

J Phys Chem Lett· May 2010

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Continuum simulations of acetylcholine consumption by acetylcholinesterase: a Poisson-Nernst-Planck approach.
Y C Zhou, Benzhuo Lu, Gary A Huber, Michael J Holst, J Andrew McCammon

J Phys Chem B· January 2008

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Electrodiffusion: a continuum modeling framework for biomolecular systems with realistic spatiotemporal resolution.
Benzhuo Lu, Y C Zhou, Gary A Huber, Stephen D Bond, Michael J Holst

J Chem Phys· October 2007

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Integrative biological modelling in silico.
Andrew D McCulloch, Gary Huber

Novartis Found Symp· July 2003

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