Nascent β-Hairpin Formation of a Natively Unfolded Peptide Reveals the Role of Hydrophobic Contacts

por Chen, Wei, Shi, Chuanyin, Shen, Jana
Publicado 2015

Assessment of Proton-Coupled Conformational Dynamics of SARS and MERS Coronavirus Papain-like Proteases: Implication for Designing Broad-Spectrum Antiviral Inhibitors

por Henderson, Jack A., Verma, Neha, Shen, Jana
Publicado 2020

Machine Learning Models to Interrogate Proteome-wide Cysteine Ligandabilities

por Liu, Ruibin, Clayton, Joseph, Shen, Mingzhe, Shen, Jana
Publicado 2023

Polyelectrolyte in Electric Field: Disparate Conformational Behavior along an Aminopolysaccharide Chain

por Mahinthichaichan, Paween, Tsai, Cheng-Chieh, Payne, Gregory F., Shen, Jana
Publicado 2020

How μ-Opioid Receptor Recognizes Fentanyl

por Vo, Quynh N., Mahinthichaichan, Paween, Shen, Jana, Ellis, Christopher R.
Publicado 2020

How μ-Opioid Receptor Recognizes Fentanyl

por Vo, Quynh N., Mahinthichaichan, Paween, Shen, Jana, Ellis, Christopher R.
Publicado 2020

How μ-opioid receptor recognizes fentanyl

por Vo, Quynh N., Mahinthichaichan, Paween, Shen, Jana, Ellis, Christopher R.
Publicado 2021

Kinetics and Mechanism of Fentanyl Dissociation from the μ-Opioid Receptor

por Mahinthichaichan, Paween, Vo, Quynh N., Ellis, Christopher R., Shen, Jana
Publicado 2021

Mechanism of pH-dependent activation of the sodium-proton antiporter NhaA

por Huang, Yandong, Chen, Wei, Dotson, David L., Beckstein, Oliver, Shen, Jana
Publicado 2016

Assessment of proton-coupled conformational dynamics of SARS and MERS coronavirus papain-like proteases: Implication for designing broad-spectrum antiviral inhibitors

por Henderson, Jack A., Verma, Neha, Harris, Robert C., Liu, Ruibin, Shen, Jana
Publicado 2020

H172Y mutation perturbs the S1 pocket and nirmatrelvir binding of SARS-CoV-2 main protease through a nonnative hydrogen bond

por de Oliveira, Vinicius Martins, Ibrahim, Mohamed Fourad, Sun, Xinyuanyuan, Hilgenfeld, Rolf, Shen, Jana
Publicado 2022

Structure-Kinetics Relationships of Opioids from Metadynamics and Machine Learning

por Mahinthichaichan, Paween, Liu, Ruibin, Vo, Quynh N., Ellis, Christopher R., Stavitskaya, Lidiya, Shen, Jana
Publicado 2023

Mechanism of the pH-Controlled Self-Assembly of Nanofibers from Peptide Amphiphiles

por Cote, Yoann, Fu, Iris W., Dobson, Eric T., Goldberger, Joshua E., Nguyen, Hung D., Shen, Jana K.
Publicado 2014

A Proof-of-Concept Inhibitor of Endothelial Lipase Suppresses Triple-Negative Breast Cancer Cells by Hijacking the Mitochondrial Function

por Yang, Rongze, Han, Shuyan, Clayton, Joseph, Haghighatian, Mahan, Tsai, Cheng-Chieh, Yao, Yuan, Li, Pingping, Shen, Jana, Zhou, Qun
Publicado 2022

An Integrative Approach to Dissect the Drug Resistance Mechanism of the H172Y Mutation of SARS-CoV-2 Main Protease

por Clayton, Joseph, de Oliveira, Vinicius Martins, Ibraham, Mohamed Fouad, Sun, Xinyuanyuan, Mahinthichaichan, Paween, Shen, Mingzhe, Hilgenfeld, Rolf, Shen, Jana
Publicado 2023