E-LIB Suche - Ergebnisse für: Jo, Sunhwan

1

GPU‐specific algorithms for improved solute sampling in gra..:

Zhao, Mingtian ; Kognole, Abhishek A. ; Jo, Sunhwan...
Journal of Computational Chemistry. 44 (2023) 20 - p. 1719-1732 , 2023

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

2

Structural and thermodynamic framework for PIEZO1 modulatio..:

Jiang, Wenjuan ; Wijerathne, Tharaka D. ; Zhang, Han...
Proceedings of the National Academy of Sciences. 120 (2023) 50 - p. , 2023

Link: https://doi.org/10.1073/..

3

Application of site-identification by ligand competitive sa..:

Goel, Himanshu ; Hazel, Anthony ; Yu, Wenbo..
New Journal of Chemistry. 46 (2022) 3 - p. 919-932 , 2022

Link: https://doi.org/10.1039/..

4

Toward Biotherapeutics Formulation Composition Engineering ..:

Somani, Sandeep ; Jo, Sunhwan ; Thirumangalathu, Renuka...
Journal of Pharmaceutical Sciences. 110 (2021) 3 - p. 1103-1110 , 2021

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

5

CHARMM‐GUI Drude prepper for molecular dynamics simulation ..:

Kognole, Abhishek A. ; Lee, Jumin ; Park, Sang‐Jun...
Journal of Computational Chemistry. 43 (2021) 5 - p. 359-375 , 2021

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

6

CHARMM-GUI Nanomaterial Modeler for Modeling and Simulation..:

Choi, Yeol Kyo ; Kern, Nathan R. ; Kim, Seonghan...
Journal of Chemical Theory and Computation. 18 (2021) 1 - p. 479-493 , 2021

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

7

Cover Feature: Simple Synthesis of a Heterocyclophane Exhib..:

Takimoto, Tatsuya ; Sasaki, Hideaki ; Tsue, Hirohito...
Chemistry – A European Journal. 27 (2021) 5 - p. 1479-1479 , 2021

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

8

Rapid and accurate estimation of protein–ligand relative bi..:

Goel, Himanshu ; Hazel, Anthony ; Ustach, Vincent D....
Chemical Science. 12 (2021) 25 - p. 8844-8858 , 2021

Link: https://doi.org/10.1039/..

9

Computational Characterization of Antibody–Excipient Intera..:

Jo, Sunhwan ; Xu, Amy ; Curtis, Joseph E...
Molecular Pharmaceutics. 17 (2020) 11 - p. 4323-4333 , 2020

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

10

Simple Synthesis of a Heterocyclophane Exhibiting Anti‐c‐Me..:

Takimoto, Tatsuya ; Sasaki, Hideaki ; Tsue, Hirohito...
Chemistry – A European Journal. 27 (2020) 5 - p. 1648-1654 , 2020

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

11

Identification and characterization of fragment binding sit..:

MacKerell Jr, Alexander D. ; Jo, Sunhwan ; Lakkaraju, Sirish Kaushik..
Biochimica et Biophysica Acta (BBA) - General Subjects. 1864 (2020) 4 - p. 129519 , 2020

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

12

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/..

13

Optimization and Evaluation of Site-Identification by Ligan..:

Ustach, Vincent D. ; Lakkaraju, Sirish Kaushik ; Jo, Sunhwan...
Journal of Chemical Information and Modeling. 59 (2019) 6 - p. 3018-3035 , 2019

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

14

CHARMM-GUIGlycan Modelerfor modeling and simulation of carb..:

Park, Sang-Jun ; Lee, Jumin ; Qi, Yifei...
Glycobiology. 29 (2019) 4 - p. 320-331 , 2019

Link: https://doi.org/10.1093/..

15

Exploring protein‐protein interactions using the site‐ident..:

Yu, Wenbo ; Jo, Sunhwan ; Lakkaraju, Sirish Kaushik..
Proteins: Structure, Function, and Bioinformatics. 87 (2019) 4 - p. 289-301 , 2019

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