Loukas Petridis
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Mechanism of lignin inhibition of enzymatic biomass deconstruction
JV Vermaas, L Petridis, X Qi, R Schulz, B Lindner, JC Smith
Biotechnology for biofuels 8, 1-16, 2015
Common processes drive the thermochemical pretreatment of lignocellulosic biomass
P Langan, L Petridis, HM O'Neill, SV Pingali, M Foston, Y Nishiyama, ...
Green Chemistry 16 (1), 63-68, 2014
Supercomputer-based ensemble docking drug discovery pipeline with application to COVID-19
A Acharya, R Agarwal, MB Baker, J Baudry, D Bhowmik, S Boehm, ...
Journal of chemical information and modeling 60 (12), 5832-5852, 2020
Molecular-level driving forces in lignocellulosic biomass deconstruction for bioenergy
L Petridis, JC Smith
Nature Reviews Chemistry 2 (11), 382-389, 2018
Simulation analysis of the temperature dependence of lignin structure and dynamics
L Petridis, R Schulz, JC Smith
Journal of the American Chemical Society 133 (50), 20277-20287, 2011
Cosolvent pretreatment in cellulosic biofuel production: effect of tetrahydrofuran-water on lignin structure and dynamics
MD Smith, B Mostofian, X Cheng, L Petridis, CM Cai, CE Wyman, ...
Green Chemistry 18 (5), 1268-1277, 2016
Scaling of multimillion-atom biological molecular dynamics simulation on a petascale supercomputer
R Schulz, B Lindner, L Petridis, JC Smith
Journal of Chemical Theory and Computation 5 (10), 2798-2808, 2009
A structural study of CESA1 catalytic domain of Arabidopsis cellulose synthesis complex: evidence for CESA trimers
VG Vandavasi, DK Putnam, Q Zhang, L Petridis, WT Heller, BT Nixon, ...
Plant physiology 170 (1), 123-135, 2016
Dynamics of water bound to crystalline cellulose
H O’Neill, SV Pingali, L Petridis, J He, E Mamontov, L Hong, V Urban, ...
Scientific reports 7 (1), 11840, 2017
The role of histone tails in the nucleosome: a computational study
J Erler, R Zhang, L Petridis, X Cheng, JC Smith, J Langowski
Biophysical journal 107 (12), 2911-2922, 2014
Local phase separation of co-solvents enhances pretreatment of biomass for bioenergy applications
B Mostofian, CM Cai, MD Smith, L Petridis, X Cheng, CE Wyman, ...
Journal of the American Chemical Society 138 (34), 10869-10878, 2016
A molecular mechanics force field for lignin
L Petridis, JC Smith
Journal of computational chemistry 30 (3), 457-467, 2009
Generation of the configurational ensemble of an intrinsically disordered protein from unbiased molecular dynamics simulation
UR Shrestha, P Juneja, Q Zhang, V Gurumoorthy, JM Borreguero, ...
Proceedings of the National Academy of Sciences 116 (41), 20446-20452, 2019
Self-similar multiscale structure of lignin revealed by neutron scattering and molecular dynamics simulation
L Petridis, SV Pingali, V Urban, WT Heller, HM O’Neill, M Foston, ...
Physical Review E—Statistical, Nonlinear, and Soft Matter Physics 83 (6 …, 2011
Molecular simulation as a tool for studying lignin
AK Sangha, L Petridis, JC Smith, A Ziebell, JM Parks
Environmental Progress & Sustainable Energy 31 (1), 47-54, 2012
Neutron scattering in the biological sciences: progress and prospects
R Ashkar, H Bilheux, H Bordallo, R Briber, DJE Callaway, X Cheng, ...
Acta Crystallographica Section D: Structural Biology 74 (12), 1129-1168, 2018
A multifunctional cosolvent pair reveals molecular principles of biomass deconstruction
AS Patri, B Mostofian, Y Pu, N Ciaffone, M Soliman, MD Smith, R Kumar, ...
Journal of the American Chemical Society 141 (32), 12545-12557, 2019
Nematic-isotropic transition with quenched disorder
L Petridis, EM Terentjev
Physical Review E—Statistical, Nonlinear, and Soft Matter Physics 74 (5 …, 2006
Full structural ensembles of intrinsically disordered proteins from unbiased molecular dynamics simulations
UR Shrestha, JC Smith, L Petridis
Communications biology 4 (1), 243, 2021
Solvent-driven preferential association of lignin with regions of crystalline cellulose in molecular dynamics simulation
B Lindner, L Petridis, R Schulz, JC Smith
Biomacromolecules 14 (10), 3390-3398, 2013
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