The tilt-dependent potential of mean force of a pair of DNA oligomers from all-atom molecular dynamics simulations

Ruggero Cortini , Xiaolin Cheng , Jeremy C Smith
Journal of Physics: Condensed Matter 29 ( 8) 084002

8
2017
Secondary structure propensity and chirality of the amyloidophilic peptide p5 and its analogues impacts ligand binding - In vitro characterization

Jonathan S. Wall , Angela Williams , Craig Wooliver , Emily B. Martin
Biochemistry and Biophysics Reports 8 89 -99

8
2016
Surface Hydration Amplifies Single-Well Protein Atom Diffusion Propagating into the Macromolecular Core

Liang Hong , Xiaolin Cheng , Dennis C. Glass , Jeremy C. Smith
Physical Review Letters 108 ( 23) 238102

41
2012
Rational design, synthesis and evaluation of “smart”, uncharged bis‐oxime antidotes of OP inhibited human acetylcholinesterase

Zoran Radic , Lukas Gorecki , Oksana Gerlits , Xiaotian Kong
The FASEB Journal 34 ( S1) 1 -1

2020
Comparative exploration of hydrogen sulfide and water transmembrane free energy surfaces via orthogonal space tempering free energy sampling

Chao Lv , Erick W. Aitchison , Dongsheng Wu , Lianqing Zheng
Journal of Computational Chemistry 37 ( 6) 567 -574

9
2016
Lipid extraction by boron nitride nanosheets from liquid-ordered and liquid-disordered nanodomains.

Yonghui Zhang , Chun Chan , Zhen Li , Jiale Ma
Nanoscale 10 ( 29) 14073 -14081

3
2018
9
2020
Bacillus subtilis Lipid Extract, A Branched-Chain Fatty Acid Model Membrane

Jonathan D. Nickels , Sneha Chatterjee , Barmak Mostofian , Christopher B. Stanley
Journal of Physical Chemistry Letters 8 ( 17) 4214 -4217

15
2017
Intramembrane proton binding site linked to activation of bacterial pentameric ion channel.

Hai-Long Wang , Xiaolin Cheng , Steven M. Sine
Journal of Biological Chemistry 287 ( 9) 6482 -6489

38
2012
Transfer matrix approach to the hydrogen-bonding in cellulose Iα fibrils describes the recalcitrance to thermal deconstruction.

Heinrich C. R. Klein , Xiaolin Cheng , Jeremy C. Smith , Tongye Shen
Journal of Chemical Physics 135 ( 8) 085106 -085106

5
2011
Carotenoids promote lateral packing and condensation of lipid membranes.

Barmak Mostofian , Quentin R. Johnson , Jeremy C. Smith , Xiaolin Cheng
Physical Chemistry Chemical Physics 22 ( 21) 12281 -12293

4
2020
Generation of the configurational ensemble of an intrinsically disordered protein from unbiased molecular dynamics simulation.

Utsab R. Shrestha , Puneet Juneja , Qiu Zhang , Viswanathan Gurumoorthy
Proceedings of the National Academy of Sciences of the United States of America 116 ( 41) 20446 -20452

20
2019
Probing the structural requirements of polybasic peptides for effective and specific amyloid reactivity

Jonathan S. Wall , Angela Williams , Alan Stuckey , Emily B. Martin
Amyloid 24 ( sup1) 30 -31

2017
Serendipitous inhibition of Aβ and rVλ6Wil amyloid fibril growth by bi-functional peptides

Jonathan S. Wall , Angela Williams , Emily B. Martin , Xiaolin Cheng
Amyloid 24 ( sup1) 32 -33

2017
Atomistic Simulation of Lignocellulosic Biomass and Associated Cellulosomal Protein Complexes

Loukas Petridis , Jiancong Xu , Michael F. Crowley , Jeremy C. Smith
ACS Publications 1052

3
2010
Preclinical Validation of the Heparin-Reactive Peptide p5+14 as a Molecular Imaging Agent for Visceral Amyloidosis

Jonathan Wall , Emily Martin , Tina Richey , Alan Stuckey
Molecules 20 ( 5) 7657 -7682

21
2015
Improved conformational sampling through an efficient combination of mean-field simulation approaches

Xiaolin Cheng , Viktor Hornak , Carlos Simmerling
Journal of Physical Chemistry B 108 ( 1) 426 -437

18
2004
Theoretical Study of the Initial Stages of Self-Assembly of a Carboxysome’s Facet

J. P. Mahalik , Kirsten A. Brown , Xiaolin Cheng , Miguel Fuentes-Cabrera
ACS Nano 10 ( 6) 5751 -5758

11
2016
The in vivo structure of biological membranes and evidence for lipid domains.

Jonathan D. Nickels , Sneha Chatterjee , Christopher B. Stanley , Shuo Qian
PLOS Biology 15 ( 5)

61
2017
Mechanical Properties of Nanoscopic Lipid Domains

Jonathan D. Nickels , Xiaolin Cheng , Barmak Mostofian , Christopher Stanley
Journal of the American Chemical Society 137 ( 50) 15772 -15780

70
2015