Mechanism of PhosphoThreonine/Serine Recognition and Specificity for Modular Domains from All-atom Molecular Dynamics

Por Huang, Yu-ming M, Chang, Chia-en A
Publicado em 2011

Achieving Peptide Binding Specificity and Promiscuity by Loops: Case of the Forkhead-Associated Domain

Por Huang, Yu-ming M., Chang, Chia-en A.
Publicado em 2014

Electrostatic steering enhances the rate of cAMP binding to phosphodiesterase: Brownian dynamics modeling

Por Huang, Yu-ming M, Huber, Gary, Andrew McCammon, J
Publicado no Protein Sci (2015)

Protein Binding for Detection of Small Changes on Nanoparticle Surface

Por Zeng, Shang, Huang, Yu-ming M., Chang, Chia-en A., Zhong, Wenwan
Publicado no Analyst (2014)

Insights from Free-Energy Calculations: Protein Conformational Equilibrium, Driving Forces, and Ligand-Binding Modes

Por Huang, Yu-ming M., Chen, Wei, Potter, Michael J., Chang, Chia-en A.
Publicado em 2012

Investigation of Structural Dynamics of Enzymes and Protonation States of Substrates Using Computational Tools

Por Chang, Chia-En A., Huang, Yu-Ming M., Mueller, Leonard J., You, Wanli
Publicado no Catalysts (2016)

Characterization of Promiscuous Binding of Phosphor Ligands to Breast-Cancer-Gene 1 (BRCA1) C-Terminal (BRCT): Molecular Dynamics, Free Energy, Entropy and Inhibitor Design

Por You, Wanli, Huang, Yu-ming M., Kizhake, Smitha, Natarajan, Amarnath, Chang, Chia-en A.
Publicado no PLoS Comput Biol (2016)

Mechanism of the Association Pathways for a Pair of Fast and Slow Binding Ligands of HIV‑1 Protease

Por Huang, Yu-ming M., Raymundo, Mark Anthony V., Chen, Wei, Chang, Chia-en A.
Publicado no Biochemistry (2017)

Molecular dynamic study of MlaC protein in Gram‐negative bacteria: conformational flexibility, solvent effect and protein‐phospholipid binding

Por Huang, Yu‐ming M., Miao, Yinglong, Munguia, Jason, Lin, Leo, Nizet, Victor, McCammon, J. Andrew
Publicado no Protein Sci (2016)

Brownian dynamic study of an enzyme metabolon in the TCA cycle: Substrate kinetics and channeling

Por Huang, Yu‐ming M., Huber, Gary A., Wang, Nuo, Minteer, Shelley D., McCammon, J. Andrew
Publicado no Protein Sci (2017)

Ligand Binding Pathways and Conformational Transitions of the HIV Protease

Por Miao, Yinglong, Huang, Yu-ming M., Walker, Ross C., McCammon, J. Andrew, Chang, Chia-en A.
Publicado no Biochemistry (2018)

Protonation states and catalysis: Molecular dynamics studies of intermediates in tryptophan synthase

Por Huang, Yu-ming M., You, Wanli, Caulkins, Bethany G., Dunn, Michael F., Mueller, Leonard J., Chang, Chia-en A.
Publicado no J Mol Recognit (2014)

Protonation states and catalysis: Molecular dynamics studies of intermediates in tryptophan synthase

Por Huang, Yu‐ming M., You, Wanli, Caulkins, Bethany G., Dunn, Michael F., Mueller, Leonard J., Chang, Chia‐en A.
Publicado no Protein Sci (2015)

Visualizing the Tunnel in Tryptophan Synthase with Crystallography: Insights into a Selective Filter for Accommodating Indole and Rejecting Water

Por Hilario, Eduardo, Caulkins, Bethany G., Huang, Yu-Ming M., You, Wanli, Chang, Chia-En A., Mueller, Leonard J., Dunn, Michael F., Fan, Li
Publicado no Biochim Biophys Acta (2015)

Protonation States of the Tryptophan Synthase Internal Aldimine Active Site from Solid-State NMR Spectroscopy: Direct Observation of the Protonated Schiff Base Linkage to Pyridoxal...

Por Caulkins, Bethany G., Bastin, Baback, Yang, Chen, Neubauer, Thomas J., Young, Robert P., Hilario, Eduardo, Huang, Yu-ming M., Chang, Chia-en A., Fan, Li, Dunn, Michael F., Marsella, Michael J., Mueller, Leonard J.
Publicado em 2014

Endosidin2 targets conserved exocyst complex subunit EXO70 to inhibit exocytosis

Por Zhang, Chunhua, Brown, Michelle Q., van de Ven, Wilhelmina, Zhang, Zhi-Min, Wu, Bin, Young, Michael C., Synek, Lukáš, Borchardt, Dan, Harrison, Reed, Pan, Songqin, Luo, Nan, Huang, Yu-ming M., Ghang, Yoo-Jin, Ung, Nolan, Li, Ruixi, Isley, Jonathan, Morikis, Dimitrios, Song, Jikui, Guo, Wei, Hooley, Richard J., Chang, Chia-en A., Yang, Zhenbiao, Zarsky, Viktor, Muday, Gloria K., Hicks, Glenn R., Raikhel, Natasha V.
Publicado no Proc Natl Acad Sci U S A (2016)