Publications by authors named "Wesley M Botello-Smith"

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Concepts, Practices, and Interactive Tutorial for Allosteric Network Analysis of Molecular Dynamics Simulations.
Wesley M Botello-Smith, Yun Lyna Luo

Methods Mol Biol· August 2021

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Ion Pairing and Dielectric Decrement in Glycosaminoglycan Brushes.
James D Sterling, Wenjuan Jiang, Wesley M Botello-Smith, Yun L Luo

J Phys Chem B· March 2021

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In silico prediction of ARB resistance: A first step in creating personalized ARB therapy.
Shane D Anderson, Asna Tabassum, Jae Kyung Yeon, Garima Sharma, Priscilla Santos, Wesley M Botello-Smith

PLoS Comput Biol· November 2020

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Investigating Protein-Protein Allosteric Network using Current-Flow Scheme.
Wesley M Botello-Smith, Yun Luo

J Comput Chem· March 2020

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A mechanism for the activation of the mechanosensitive Piezo1 channel by the small molecule Yoda1.
Wesley M Botello-Smith, Wenjuan Jiang, Han Zhang, Alper D Ozkan, Yi-Chun Lin

Nat Commun· October 2019

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Robust Determination of Protein Allosteric Signaling Pathways.
Wesley M Botello-Smith, Yun Luo

J Chem Theory Comput· April 2019

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The connexin26 human mutation N14K disrupts cytosolic intersubunit interactions and promotes channel opening.
Juan M Valdez Capuccino, Payal Chatterjee, Isaac E García, Wesley M Botello-Smith, Han Zhang

J Gen Physiol· March 2019

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Alterations at Arg of human connexin 46, a residue associated with cataract formation, cause loss of gap junction formation but preserve hemichannel function.
Charles K Abrams, Alejandro Peinado, Rola Mahmoud, Matan Bocarsly, Han Zhang, Wesley M Botello-Smith

Am J Physiol Cell Physiol· November 2018

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Probing the gating mechanism of the mechanosensitive channel Piezo1 with the small molecule Yoda1.
Jerome J Lacroix, Wesley M Botello-Smith, Yun Luo

Nat Commun· May 2018

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Molecular Mechanism of Resveratrol's Lipid Membrane Protection.
Qinqin Fei, David Kent, Wesley M Botello-Smith, Fariah Nur, Saadia Nur

Sci Rep· January 2018

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Can Relative Binding Free Energy Predict Selectivity of Reversible Covalent Inhibitors?
Payal Chatterjee, Wesley M Botello-Smith, Han Zhang, Li Qian, Abdelaziz Alsamarah

J Am Chem Soc· December 2017

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Polymodal allosteric regulation of Type 1 Serine/Threonine Kinase Receptors via a conserved electrostatic lock.
Wesley M Botello-Smith, Abdelaziz Alsamarah, Payal Chatterjee, Chen Xie, Jerome J Lacroix

PLoS Comput Biol· August 2017

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Acceleration of Linear Finite-Difference Poisson-Boltzmann Methods on Graphics Processing Units.
Ruxi Qi, Wesley M Botello-Smith, Ray Luo

J Chem Theory Comput· July 2017

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Modeling Membrane Protein-Ligand Binding Interactions: The Human Purinergic Platelet Receptor.
D'Artagnan Greene, Wesley M Botello-Smith, Alec Follmer, Li Xiao, Eleftherios Lambros

J Phys Chem B· December 2016

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Applications of MMPBSA to Membrane Proteins I: Efficient Numerical Solutions of Periodic Poisson-Boltzmann Equation.
Wesley M Botello-Smith, Ray Luo

J Chem Inf Model· October 2015

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Numerical Poisson-Boltzmann Model for Continuum Membrane Systems.
Wesley M Botello-Smith, Xingping Liu, Qin Cai, Zhilin Li, Hongkai Zhao

Chem Phys Lett· January 2013

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