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Daniel Oehme
Daniel Oehme
Northeastern University
Verified email at northeastern.edu
Title
Cited by
Cited by
Year
The shape of native plant cellulose microfibrils
JD Kubicki, H Yang, D Sawada, H O’Neill, D Oehme, D Cosgrove
Scientific reports 8 (1), 13983, 2018
1062018
Unique Aspects of the Structure and Dynamics of Elementary Iβ Cellulose Microfibrils Revealed by Computational Simulations
DP Oehme, MT Downton, MS Doblin, J Wagner, MJ Gidley, A Bacic
Plant physiology 168 (1), 3-17, 2015
902015
Effect of atomic charge, solvation, entropy, and ligand protonation state on MM‐PB (GB) SA binding energies of HIV protease
DP Oehme, RTC Brownlee, DJD Wilson
Journal of computational chemistry 33 (32), 2566-2580, 2012
722012
Evolutionary dynamics of the cellulose synthase gene superfamily in grasses
JG Schwerdt, K MacKenzie, F Wright, D Oehme, JM Wagner, AJ Harvey, ...
Plant physiology 168 (3), 968-983, 2015
652015
Hydrogen bonds and twist in cellulose microfibrils
SK Kannam, DP Oehme, MS Doblin, MJ Gidley, A Bacic, MT Downton
Carbohydrate Polymers 175, 433-439, 2017
572017
Gaining insight into cell wall cellulose macrofibril organisation by simulating microfibril adsorption
DP Oehme, MS Doblin, J Wagner, A Bacic, MT Downton, MJ Gidley
Cellulose 22, 3501-3520, 2015
572015
Structural factors affecting 13C NMR chemical shifts of cellulose: a computational study
H Yang, T Wang, D Oehme, L Petridis, M Hong, JD Kubicki
Cellulose 25, 23-36, 2018
542018
Experimental studies and molecular modelling of catalytic steam gasification of brown coal containing iron species
G Domazetis, BD James, J Liesegang, M Raoarun, M Kuiper, ID Potter, ...
Fuel 93, 404-414, 2012
272012
An evaluation of the structures of cellulose generated by the CHARMM force field: comparisons to in planta cellulose
DP Oehme, H Yang, JD Kubicki
Cellulose 25, 3755-3777, 2018
222018
Differences in protein structural regions that impact functional specificity in GT2 family β-glucan synthases
DP Oehme, T Shafee, MT Downton, A Bacic, MS Doblin
PLoS One 14 (10), e0224442, 2019
172019
Simulations of cellulose synthesis initiation and termination in bacteria
H Yang, J McManus, D Oehme, A Singh, YG Yingling, M Tien, JD Kubicki
The Journal of Physical Chemistry B 123 (17), 3699-3705, 2019
112019
The shape of native plant cellulose microfibrils. Sci Rep 8: 13983
JD Kubicki, H Yang, D Sawada, H O’Neill, D Oehme, D Cosgrove
112018
Effect of Structural Stress on the Flexibility and Adaptability of HIV-1 Protease
DP Oehme, DJD Wilson, RTC Brownlee
Journal of chemical information and modeling 51 (5), 1064-1073, 2011
62011
Binding of an RNA pol II Ligand to the WW domain of Pin1 using molecular dynamics docking simulations
CA Ng, DP Oehme, Y Kato, M Tanokura, RTC Brownlee
Journal of Chemical Theory and Computation 5 (10), 2886-2897, 2009
52009
Integrating molecular dynamics, quantum mechanics and solid-state NMR to probe the structure of cellulose in planta
D Oehme, H Yang, M Hong, J Kubicki
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 256, 2018
2018
Modelling the structure and dynamics of bacterial cellulose synthase-like proteins to identify motifs critical for their specific functions
D Oehme, M Downton, A Bacic, M Doblin
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 256, 2018
2018
Understanding the mechanism of (1, 3; 1, 4)-beta-D-glucan synthesis in cereals
M Doblin, YY Ho, D Oehme, M Bain, K Ford, A van de Meene, ...
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 253, 2017
2017
Density functional theory modeling of cellulose polymer assembly
J Kubicki, H Watts, H Yang, D Oehme, L Petridis, Y Yingling
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 253, 2017
2017
Can cyclic HIV protease inhibitors bind in a non-preferred form? An ab initio, DFT and MM-PB (GB) SA study
DP Oehme, RTC Brownlee, DJD Wilson
Journal of molecular modeling 19, 1125-1142, 2013
2013
Modelling Interactions Between Ligands and Proteins
DP Oehme
La Trobe University, 2010
2010
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Articles 1–20