Publications by authors named "Hugo Guterres"

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CHARMM-GUI-Based Induced Fit Docking Workflow to Generate Reliable Protein-Ligand Binding Modes.
Hugo Guterres, Wonpil Im

August 2023

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Molecular basis of polyspecific drug and xenobiotic recognition by OCT1 and OCT2.
Yang Suo, Nicholas J Wright, Hugo Guterres, Justin G Fedor, Kevin John Butay

Nat Struct Mol Biol· July 2023

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Molecular basis of polyspecific drug binding and transport by OCT1 and OCT2.
Yang Suo, Nicholas J Wright, Hugo Guterres, Justin G Fedor, Kevin John Butay

bioRxiv· March 2023

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Mechanisms of isoform-specific residue influence on GTP-bound HRas, KRas, and NRas.
Alicia Y Volmar, Hugo Guterres, Hao Zhou, Derion Reid, Spiro Pavlopoulos

Biophys J· October 2022

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CHARMM-GUI for Template-Based Virtual Ligand Design in a Binding Site.
Hugo Guterres, Sang-Jun Park, Yiwei Cao, Wonpil Im

J Chem Inf Model· November 2021

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CHARMM-GUI for Ligand Binding Site Prediction and Refinement.
Hugo Guterres, Sang-Jun Park, Han Zhang, Wonpil Im

J Chem Inf Model· August 2021

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Raf promotes dimerization of the Ras G-domain with increased allosteric connections.
Morgan R Packer, Jillian A Parker, Jean K Chung, Zhenlu Li, Young Kwang Lee, Hugo Guterres

Proc Natl Acad Sci U S A· March 2021

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Ligand-Binding-Site Refinement to Generate Reliable Holo Protein Structure Conformations from Apo Structures.
Hugo Guterres, Sang-Jun Park, Wei Jiang, Wonpil Im

J Chem Inf Model· January 2021

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Improving Protein-Ligand Docking Results with High-Throughput Molecular Dynamics Simulations.
Hugo Guterres, Wonpil Im

J Chem Inf Model· April 2020

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Ligand-Binding-Site Structure Refinement Using Molecular Dynamics with Restraints Derived from Predicted Binding Site Templates.
Hugo Guterres, Hui Sun Lee, Wonpil Im

J Chem Theory Comput· November 2019

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Predicting X-ray solution scattering from flexible macromolecules.
Hao Zhou, Hugo Guterres, Carla Mattos, Lee Makowski

Protein Sci· December 2018

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Allosteric effects of the oncogenic RasQ61L mutant on Raf-RBD.
Susan K Fetics, Hugo Guterres, Bradley M Kearney, Greg Buhrman, Buyong Ma

Structure· March 2015

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