Sunhwan Jo - Publications, H-index & Citations

Sunhwan Jo

University of Maryland Baltimore

38H指数

96论文数

2.5W被引数

收录论文 66

发表时间

Docking-score landscapes shape active-learning performance across Vina, Glide, and SILCS 打分函数景观影响Vina、Glide和SILCS的主动学习性能

Journal of Computer-Aided Molecular Design

IF3.1

2026-09-11

OAAI

Joseph Chung; Aashish Bhatt; Jacob Ede Levine; Yi-Chun Lin; Mingtian Zhao; Alexander D. MacKerell Jr.; Sunhwan Jo; Sai Chandra Kosaraju; Yun Lyna Luo

Structural and thermodynamic framework for PIEZO1 modulation by small molecules

PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

IF9.1

2023-12-07

OAAI

Jiang, Wenjuan; Wijerathne, Tharaka D.; Zhang, Han; Lin, Yi-Chun; Jo, Sunhwan; Im, Wonpil; Lacroix, Jerome J.; Luo, Yun L.

GPU-specific algorithms for improved solute sampling in grand canonical Monte Carlo simulations

JOURNAL OF COMPUTATIONAL CHEMISTRY

IF4.8

2023-04-24

OAAI

Zhao, Mingtian; Kognole, Abhishek A.; Jo, Sunhwan; Tao, Aoxiang; Hazel, Anthony; MacKerell Jr, Alexander D.

CHARMM-GUI Drude prepper for molecular dynamics simulation using the classical Drude polarizable force field

JOURNAL OF COMPUTATIONAL CHEMISTRY

IF4.8

2021-12-07

OAAI

Kognole, Abhishek A.; Lee, Jumin; Park, Sang-Jun; Jo, Sunhwan; Chatterjee, Payal; Lemkul, Justin A.; Huang, Jing; MacKerell, Alexander D., Jr.; Im, Wonpil

CHARMM-GUI Nanomaterial Modeler for Modeling and Simulation of Nanomaterial Systems

JOURNAL OF CHEMICAL THEORY AND COMPUTATION

IF5.5

2021-12-06

100

OAAI

Choi, Yeol Kyo; Kern, Nathan R.; Kim, Seonghan; Kanhaiya, Krishan; Afshar, Yaser; Jeon, Sun Hee; Jo, Sunhwan; Brooks, Bernard R.; Lee, Jumin; Tadmor, Ellad B.; Heinz, Hendrik; Im, Wonpil

Toward Biotherapeutics Formulation Composition Engineering using Site-Identification by Ligand Competitive Saturation (SILCS)

JOURNAL OF PHARMACEUTICAL SCIENCES

IF3.8

2021-03-01

OAAI

Somani, Sandeep; Jo, Sunhwan; Thirumangalathu, Renuka; Rodrigues, Danika; Tanenbaum, Laura M.; Amin, Ketan; MacKerell, Alexander D., Jr.; Thakkar, Santosh, V

Rapid and accurate estimation of protein-ligand relative binding affinities using site-identification by ligand competitive saturation

CHEMICAL SCIENCE

IF7.4

2021-01-01

OAAI

Goel, Himanshu; Hazel, Anthony; Ustach, Vincent D.; Jo, Sunhwan; Yu, Wenbo; MacKerell, Alexander D., Jr.

Simple Synthesis of a Heterocyclophane Exhibiting Anti-c-Met Activity by Acting as a Hatch Blocking Access to the Active Site**

CHEMISTRY-A EUROPEAN JOURNAL

IF3.7

2020-12-15

OAAI

Takimoto, Tatsuya; Sasaki, Hideaki; Tsue, Hirohito; Takahashi, Hiroki; MacKerell Jr, Alexander D.; Nakamura, Ayumi; Nakano, Katsuya; Okazaki, Eori; Betsuyaku, Tatsuki; Tachibana, Ryosuke; Hioki, Kazuhito; Yoluk, Ozge; Jo, Sunhwan

String Method for Protein-Protein Binding Free-Energy Calculations

JOURNAL OF CHEMICAL THEORY AND COMPUTATION

IF5.5

2019-10-08

OAAI

Suh, Donghyuk; Jo, Sunhwan; Jiang, Wei; Chipot, Chris; Roux, Benoit

Optimization and Evaluation of Site-Identification by Ligand Competitive. Saturation (SILCS) as a Tool for Target-Based Ligand Optimization

JOURNAL OF CHEMICAL INFORMATION AND MODELING

IF5.3

2019-04-29

OAAI

Ustach, Vincent D.; Lakkaraju, Sirish Kaushik; Jo, Sunhwan; Yu, Wenbo; Jiang, Wenjuan; MacKerell, Alexander D., Jr.

CHARMM-GUI Glycan Modeler for modeling and simulation of carbohydrates and glycoconjugates Charmm-gui聚糖建模器，用于碳水化合物和糖缀合物的建模和模拟

GLYCOBIOLOGY

IF3.3

2019-02-26

254

OAAI

Park, Sang-Jun; Lee, Jumin; Qi, Yifei; Kern, Nathan R.; Lee, Hui Sun; Jo, Sunhwan; Joung, InSuk; Joo, Keehyung; Lee, Jooyoung; Im, Wonpil

Study on the Mechanism of Anti C-Met Activity of Boc-Protected Amino Groups of Bithiazolophanes by using SILCS

BIOPHYSICAL JOURNAL

IF3.1

2019-02-01

OAAI

Takimoto, Tatsuya; Yoluk, Ozge; Jo, Sunhwan; MacKerell, Alexander D., Jr.; Sasaki, Hideaki

Optimization of the Site-Identification by Ligand Competitive Saturation (SILCS) as an Accurate and Reliable Technique in Lead Optimization

BIOPHYSICAL JOURNAL

IF3.1

2019-02-01

OAAI

Ustach, Vincent D.; Lakkaraju, Sirish Kauhik; Jo, Sunhwan; Yu, Wenbo; Lin, Fang-Yu; Jiang, Wenjuan; MacKerell, Alexander D.

Exploring protein-protein interactions using the site-identification by ligand competitive saturation methodology

PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS

IF2.8

2019-01-10

OAAI

Yu, Wenbo; Jo, Sunhwan; Lakkaraju, Sirish Kaushik; Weber, David J.; MacKerell, Alexander D., Jr.

CHARMM-GUI Membrane Builder for Complex Biological Membrane Simulations with Glycolipids and Lipoglycans

JOURNAL OF CHEMICAL THEORY AND COMPUTATION

IF5.5

2018-12-11

430

OAAI

Lee, Jumin; Patel, Dhilon S.; Stahle, Jonas; Park, Sang-Jun; Kern, Nathan R.; Kim, Seonghoon; Lee, Joonseong; Cheng, Xi; Valvano, Miguel A.; Holst, Otto; Knirel, Yuriy A.; Qi, Yifei; Jo, Sunhwan; Klauda, Jeffery B.; Widmalm, Goran; Im, Wonpil

Constant-pH Molecular Dynamics Simulations for Large Biomolecular Systems (vol 13, pg 5933, 2017)

JOURNAL OF CHEMICAL THEORY AND COMPUTATION

IF5.5

2018-11-27

OAAI

Radak, Brian K.; Chipot, Christophe; Suh, Donghyuk; Jo, Sunhwan; Jiang, Wei; Phillips, James C.; Schulten, Klaus; Roux, Benoit

Determination of Ionic Hydration Free Energies with Grand Canonical Monte Carlo/Molecular Dynamics Simulations in Explicit Water

JOURNAL OF CHEMICAL THEORY AND COMPUTATION

IF5.5

2018-09-05

OAAI

Sun, Delin; Lakkaraju, Sirish Kaushik; Jo, Sunhwan; MacKerell, Alexander D., Jr.