New and notable: A multiscale coarse-grained model of the SARS-CoV-2 virion

por Straub, John E.
Publicado 2021

Empirical Maps For The Calculation of Amide I Vibrational Spectra of Proteins From Classical Molecular Dynamics Simulations

por Małolepsza, Edyta, Straub, John E.
Publicado 2014

Energy landscapes of Aβ monomers are sculpted in accordance with Ostwald’s rule of stages

por Chakraborty, Debayan, Straub, John E., Thirumalai, D.
Publicado 2023

Characterizing the structural ensemble of γ-secretase using a multiscale molecular dynamics approach

por Aguayo-Ortiz, Rodrigo, Chávez-García, Cecilia, Straub, John E., Dominguez, Laura
Publicado 2017

Conformational Fluctuations and Phases in Fused in Sarcoma (FUS) Low-Complexity Domain

por Thirumalai, D., Kumar, Abhinaw, Chakraborty, Debayan, Straub, John E., Mugnai, Mauro L.
Publicado 2023

Structural Heterogeneity in Transmembrane Amyloid Precursor Protein Homodimer Is a Consequence of Environmental Selection

por Dominguez, Laura, Foster, Leigh, Meredith, Stephen C., Straub, John E., Thirumalai, D.
Publicado 2014

Role of Charge and Solvation in the Structure and Dynamics of Alanine-Rich Peptide AKA(2) in AOT Reverse Micelles

por Martinez, Anna Victoria, Małolepsza, Edyta, Domínguez, Laura, Lu, Qing, Straub, John E.
Publicado 2014

Synergistic computational and experimental studies of a phosphoglycosyl transferase membrane/ligand ensemble

por Majumder, Ayan, Vuksanovic, Nemanja, Ray, Leah C., Bernstein, Hannah M., Allen, Karen N., Imperiali, Barbara, Straub, John E.
Publicado 2023

Formation of extramembrane β-strands controls dimerization of transmembrane helices in amyloid precursor protein C99

por Pantelopulos, George A., Matsuoka, Daisuke, Hutchison, James M., Sanders, Charles R., Sugita, Yuji, Straub, John E., Thirumalai, D.
Publicado 2022