Catalytic Mechanism of Cellulose Degradation by a Cellobiohydrolase, CelS

por Saharay, Moumita, Guo, Hong, Smith, Jeremy C.
Publicado 2010

Structured Pathway across the Transition State for Peptide Folding Revealed by Molecular Dynamics Simulations

por Thukral, Lipi, Daidone, Isabella, Smith, Jeremy C.
Publicado 2011

Quantum Mechanical/Molecular Mechanical Analysis of the Catalytic Mechanism of Phosphoserine Phosphatase

por Krachtus, Dieter, Smith, Jeremy C., Imhof, Petra
Publicado 2018

HLA-Clus: HLA class I clustering based on 3D structure

por Shen, Yue, Parks, Jerry M., Smith, Jeremy C.
Publicado 2023

Community detection in sequence similarity networks based on attribute clustering

por Chowdhary, Janamejaya, Löffler, Frank E., Smith, Jeremy C.
Publicado 2017

Full structural ensembles of intrinsically disordered proteins from unbiased molecular dynamics simulations

por Shrestha, Utsab R., Smith, Jeremy C., Petridis, Loukas
Publicado 2021

Role of Histone Tails in Structural Stability of the Nucleosome

por Biswas, Mithun, Voltz, Karine, Smith, Jeremy C., Langowski, Jörg
Publicado 2011

Hydrogen-Bond Driven Loop-Closure Kinetics in Unfolded Polypeptide Chains

por Daidone, Isabella, Neuweiler, Hannes, Doose, Sören, Sauer, Markus, Smith, Jeremy C.
Publicado 2010

Organosolv-Water Cosolvent Phase Separation on Cellulose and its Influence on the Physical Deconstruction of Cellulose: A Molecular Dynamics Analysis

por Smith, Micholas Dean, Cheng, Xiaolin, Petridis, Loukas, Mostofian, Barmak, Smith, Jeremy C.
Publicado 2017

Hydrolysis of DFP and the Nerve Agent (S)-Sarin by DFPase Proceeds along Two Different Reaction Pathways: Implications for Engineering Bioscavengers

por Wymore, Troy, Field, Martin J., Langan, Paul, Smith, Jeremy C., Parks, Jerry M.
Publicado 2014

Determination of functional collective motions in a protein at atomic resolution using coherent neutron scattering

por Hong, Liang, Jain, Nitin, Cheng, Xiaolin, Bernal, Ana, Tyagi, Madhusudan, Smith, Jeremy C.
Publicado 2016

Mechanism of lignin inhibition of enzymatic biomass deconstruction

por Vermaas, Josh V., Petridis, Loukas, Qi, Xianghong, Schulz, Roland, Lindner, Benjamin, Smith, Jeremy. C.
Publicado 2015

Neutron structure of human carbonic anhydrase II in complex with methazolamide: mapping the solvent and hydrogen-bonding patterns of an effective clinical drug

por Aggarwal, Mayank, Kovalevsky, Andrey Y., Velazquez, Hector, Fisher, S. Zoë, Smith, Jeremy C., McKenna, Robert
Publicado 2016

Using Small-Angle Scattering Data and Parametric Machine Learning to Optimize Force Field Parameters for Intrinsically Disordered Proteins

por Demerdash, Omar, Shrestha, Utsab R., Petridis, Loukas, Smith, Jeremy C., Mitchell, Julie C., Ramanathan, Arvind
Publicado 2019

Genetic interactions between Polycystin-1 and TAZ in osteoblasts define a novel mechanosensing mechanism regulating bone formation in mice

por Xiao, Zhousheng, Cao, Li, Smith, Micholas Dean, Li, Hanxuan, Li, Wei, Smith, Jeremy C., Quarles, Leigh Darryl
Publicado 2023

Genetic interactions between polycystin-1 and Wwtr1 in osteoblasts define a novel mechanosensing mechanism regulating bone formation in mice

por Xiao, Zhousheng, Cao, Li, Smith, Micholas Dean, Li, Hanxuan, Li, Wei, Smith, Jeremy C., Quarles, Leigh Darryl
Publicado 2023

Non-ergodicity of a globular protein extending beyond its functional timescale

por Li, Jun, Xie, JingFei, Godec, Aljaž, Weninger, Keith R., Liu, Cong, Smith, Jeremy C., Hong, Liang
Publicado 2022

Jörg Langowski: his scientific legacy and the future it promises

por Chirico, Giuseppe, Gansen, Alexander, Leuba, Sanford H., Olins, Ada L., Olins, Donald E., Smith, Jeremy C., Tóth, Katalin
Publicado 2018

Computationally identified novel agonists for GPRC6A

por Pi, Min, Kapoor, Karan, Ye, Ruisong, Hwang, Dong-Jin, Miller, Duane D., Smith, Jeremy C., Baudry, Jerome, Quarles, L. Darryl
Publicado 2018

Tuning proton transfer thermodynamics in SARS-Cov-2 main protease: implications for catalysis and inhibitor design

por Zanetti-Polzi, Laura, Smith, Micholas Dean, Chipot, Chris, Gumbart, James C., Lynch, Diane L., Pavlova, Anna, Smith, Jeremy C., Daidone, Isabella
Publicado 2020