Publications by authors named "Donghyuk Suh"

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Unique molecular architecture of N-glycosylated TM4SF5 dimer highlights evolutionary and structural divergence among small four-transmembrane protein families.
Yoonji Lee, Ji Eon Kim, Wonsik Kim, Soyeon Kim, Ri Han, Donghyuk Suh

J Adv Res· December 2025

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CHARMM-GUI for Protein-Ligand Docking of Multiple Reactive States along a Reaction Coordinate in Enzymes.
Donghyuk Suh, Renana Schwartz, Prashant Kumar Gupta, Shani Zev, Dan T Major

J Chem Theory Comput· February 2025

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CHARMM-GUI QM/MM Interfacer for a Quantum Mechanical and Molecular Mechanical (QM/MM) Simulation Setup: 1. Semiempirical Methods.
Donghyuk Suh, Abdul Raafik Arattu Thodika, Seonghoon Kim, Kwangho Nam, Wonpil Im

J Chem Theory Comput· June 2024

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CHARMM-GUI Enhanced Sampler for various collective variables and enhanced sampling methods.
Donghyuk Suh, Shasha Feng, Hwayoung Lee, Han Zhang, Sang-Jun Park

Protein Sci· November 2022

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CHARMM-GUI Implicit Solvent Modeler for Various Generalized Born Models in Different Simulation Programs.
Kye Won Wang, Jumin Lee, Han Zhang, Donghyuk Suh, Wonpil Im

J Phys Chem B· September 2022

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Recent Applications of Deep Learning Methods on Evolution- and Contact-Based Protein Structure Prediction.
Donghyuk Suh, Jai Woo Lee, Sun Choi, Yoonji Lee

Int J Mol Sci· June 2021

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Structural Characterization of Receptor-Receptor Interactions in the Allosteric Modulation of G Protein-Coupled Receptor (GPCR) Dimers.
Raudah Lazim, Donghyuk Suh, Jai Woo Lee, Thi Ngoc Lan Vu, Sanghee Yoon

Int J Mol Sci· March 2021

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Advances in Molecular Dynamics Simulations and Enhanced Sampling Methods for the Study of Protein Systems.
Raudah Lazim, Donghyuk Suh, Sun Choi

Int J Mol Sci· September 2020

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String Method for Protein-Protein Binding Free-Energy Calculations.
Donghyuk Suh, Sunhwan Jo, Wei Jiang, Chris Chipot, Benoît Roux

J Chem Theory Comput· November 2019

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Correction to Constant-pH Molecular Dynamics Simulations for Large Biomolecular Systems.
Brian K Radak, Christophe Chipot, Donghyuk Suh, Sunhwan Jo, Wei Jiang

J Chem Theory Comput· December 2018

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Reproducibility of Free Energy Calculations across Different Molecular Simulation Software Packages.
Hannes H Loeffler, Stefano Bosisio, Guilherme Duarte Ramos Matos, Donghyuk Suh, Benoit Roux

J Chem Theory Comput· November 2018

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A generalized linear response framework for expanded ensemble and replica exchange simulations.
Brian K Radak, Donghyuk Suh, Benoît Roux

J Chem Phys· August 2018

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Enhanced configurational sampling with hybrid non-equilibrium molecular dynamics-Monte Carlo propagator.
Donghyuk Suh, Brian K Radak, Christophe Chipot, Benoît Roux

J Chem Phys· January 2018

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Constant-pH Molecular Dynamics Simulations for Large Biomolecular Systems.
Brian K Radak, Christophe Chipot, Donghyuk Suh, Sunhwan Jo, Wei Jiang

J Chem Theory Comput· December 2017

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Leveraging the Information from Markov State Models To Improve the Convergence of Umbrella Sampling Simulations.
Sunhwan Jo, Donghyuk Suh, Ziwei He, Christophe Chipot, Benoît Roux

J Phys Chem B· August 2016

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