E-LIB Suche - Ergebnisse für: Suh, Donghyuk

1

CHARMM-GUI QM/MM Interfacer for a Quantum Mechanical and Mo..:

Suh, Donghyuk ; Arattu Thodika, Abdul Raafik ; Kim, Seonghoon..
Journal of Chemical Theory and Computation. 20 (2024) 12 - p. 5337-5351 , 2024

Link: https://doi.org/10.1021/..

2

CHARMM-GUI constant-pH simulator for the constant-pH molecu..:

Suh, Donghyuk ; Zhang, Han ; Im, Wonpil
Biophysical Journal. 123 (2024) 3 - p. 423a , 2024

Link: https://doi.org/10.1016/..

3

CHARMM-GUI QM/MM interfacer for the hybrid QM/MM molecular ..:

Suh, Donghyuk ; Nam, Kwangho ; Im, Wonpil
Biophysical Journal. 122 (2023) 3 - p. 424a , 2023

Link: https://doi.org/10.1016/..

4

CHARMM-GUI Implicit Solvent Modeler for Various Generalized..:

Wang, Kye Won ; Lee, Jumin ; Zhang, Han..
The Journal of Physical Chemistry B. 126 (2022) 38 - p. 7354-7364 , 2022

Link: https://doi.org/10.1021/..

5

CHARMM‐GUI Enhanced Sampler for various collective variable..:

Suh, Donghyuk ; Feng, Shasha ; Lee, Hwayoung...
Protein Science. 31 (2022) 11 - p. , 2022

Link: https://doi.org/10.1002/..

6

Recent Applications of Deep Learning Methods on Evolution- ..:

Suh, Donghyuk ; Lee, Jai Woo ; Choi, Sun.
International Journal of Molecular Sciences. 22 (2021) 11 - p. 6032 , 2021

Link: https://doi.org/10.3390/..

7

Structural Characterization of Receptor–Receptor Interactio..:

Lazim, Raudah ; Suh, Donghyuk ; Lee, Jai Woo...
International Journal of Molecular Sciences. 22 (2021) 6 - p. 3241 , 2021

Link: https://doi.org/10.3390/..

8

Advances in Molecular Dynamics Simulations and Enhanced Sam..:

Lazim, Raudah ; Suh, Donghyuk ; Choi, Sun
International Journal of Molecular Sciences. 21 (2020) 17 - p. 6339 , 2020

Link: https://doi.org/10.3390/..

9

String Method for Protein–Protein Binding Free-Energy Calcu..:

Suh, Donghyuk ; Jo, Sunhwan ; Jiang, Wei..
Journal of Chemical Theory and Computation. 15 (2019) 11 - p. 5829-5844 , 2019

Link: https://doi.org/10.1021/..

10

Enhanced configurational sampling with hybrid non-equilibri..:

Suh, Donghyuk ; Radak, Brian K. ; Chipot, Christophe.
The Journal of Chemical Physics. 148 (2018) 1 - p. , 2018

Link: https://doi.org/10.1063/..

11

Correction to Constant-pH Molecular Dynamics Simulations fo..:

Radak, Brian K. ; Chipot, Christophe ; Suh, Donghyuk...
Journal of Chemical Theory and Computation. 14 (2018) 12 - p. 6748-6749 , 2018

Link: https://doi.org/10.1021/..

12

Reproducibility of Free Energy Calculations across Differen..:

Loeffler, Hannes H. ; Bosisio, Stefano ; Duarte Ramos Matos, Guilherme...
Journal of Chemical Theory and Computation. 14 (2018) 11 - p. 5567-5582 , 2018

Link: https://doi.org/10.1021/..

13

A generalized linear response framework for expanded ensemb..:

Radak, Brian K. ; Suh, Donghyuk ; Roux, Benoît
The Journal of Chemical Physics. 149 (2018) 7 - p. , 2018

Link: https://doi.org/10.1063/..

14

Constant-pH Molecular Dynamics Simulations for Large Biomol..:

Radak, Brian K. ; Chipot, Christophe ; Suh, Donghyuk...
Journal of Chemical Theory and Computation. 13 (2017) 12 - p. 5933-5944 , 2017

Link: https://doi.org/10.1021/..

15

Leveraging the Information from Markov State Models To Impr..:

Jo, Sunhwan ; Suh, Donghyuk ; He, Ziwei..
The Journal of Physical Chemistry B. 120 (2016) 33 - p. 8733-8742 , 2016

Link: https://doi.org/10.1021/..