| 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 | 135 | 2018 |
| 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 | 99 | 2015 |
| 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 | 74 | 2012 |
| 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 | 68 | 2015 |
| 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 | 65 | 2017 |
| 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 | 63 | 2018 |
| 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 | 60 | 2015 |
| 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 | 28 | 2012 |
| 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 | 27 | 2018 |
| 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 | 25 | 2019 |
| 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 | 13 | 2019 |
| The shape of native plant cellulose microfibrils. Sci Rep 8: 13983 JD Kubicki, H Yang, D Sawada, H O’Neill, D Oehme, D Cosgrove | 12 | 2018 |
| 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 | 5 | 2009 |
| 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 | 4 | 2011 |
| Substrate Specificities of Variants of Barley (1,3)- and (1,3;1,4)-β-d-Glucanases Resulting from Mutagenesis and Segment Hybridization MR Kao, J Parker, D Oehme, SC Chang, LC Cheng, D Wang, ... Biochemistry 63 (9), 1194-1205, 2024 | | 2024 |
| 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 |
