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Josh Vermaas
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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
2342015
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
1552020
ChAdOx1 interacts with CAR and PF4 with implications for thrombosis with thrombocytopenia syndrome
AT Baker, RJ Boyd, D Sarkar, A Teijeira-Crespo, CK Chan, E Bates, ...
Science Advances 7 (49), eabl8213, 2021
1292021
Passive membrane transport of lignin-related compounds
JV Vermaas, RA Dixon, F Chen, SD Mansfield, W Boerjan, J Ralph, ...
Proceedings of the National Academy of Sciences 116 (46), 23117-23123, 2019
1162019
Effects of lytic polysaccharide monooxygenase oxidation on cellulose structure and binding of oxidized cellulose oligomers to cellulases
JV Vermaas, MF Crowley, GT Beckham, CM Payne
The Journal of Physical Chemistry B 119 (20), 6129-6143, 2015
1082015
CHARMM-GUI HMMM builder for membrane simulations with the highly mobile membrane-mimetic model
Y Qi, X Cheng, J Lee, JV Vermaas, TV Pogorelov, E Tajkhorshid, S Park, ...
Biophysical journal 109 (10), 2012-2022, 2015
982015
Advances in multiscale modeling of lignocellulosic biomass
PN Ciesielski, MB Pecha, AM Lattanzi, VS Bharadwaj, MF Crowley, L Bu, ...
ACS sustainable chemistry & engineering 8 (9), 3512-3531, 2020
972020
TopoGromacs: Automated topology conversion from CHARMM to GROMACS within VMD
JV Vermaas, DJ Hardy, JE Stone, E Tajkhorshid, A Kohlmeyer
Journal of chemical information and modeling 56 (6), 1112-1116, 2016
752016
GPU-accelerated drug discovery with docking on the summit supercomputer: Porting, optimization, and application to COVID-19 research
S LeGrand, A Scheinberg, AF Tillack, M Thavappiragasam, JV Vermaas, ...
Proceedings of the 11th ACM international conference on bioinformatics …, 2020
722020
Inhibitor binding influences the protonation states of histidines in SARS-CoV-2 main protease
A Pavlova, DL Lynch, I Daidone, L Zanetti-Polzi, MD Smith, C Chipot, ...
Chemical science 12 (4), 1513-1527, 2021
592021
Systematic parameterization of lignin for the CHARMM force field
JV Vermaas, L Petridis, J Ralph, MF Crowley, GT Beckham
Green chemistry 21 (1), 109-122, 2019
582019
Molecular lignin solubility and structure in organic solvents
JV Vermaas, MF Crowley, GT Beckham
ACS Sustainable Chemistry & Engineering 8 (48), 17839-17850, 2020
572020
Automated transformation of lignin topologies into atomic structures with LigninBuilder
JV Vermaas, LD Dellon, LJ Broadbelt, GT Beckham, MF Crowley
ACS sustainable chemistry & engineering 7 (3), 3443-3453, 2018
562018
Partitioning of amino acids into a model membrane: capturing the interface
TV Pogorelov, JV Vermaas, MJ Arcario, E Tajkhorshid
The Journal of Physical Chemistry B 118 (6), 1481-1492, 2014
542014
Conformational heterogeneity of α-synuclein in membrane
JV Vermaas, E Tajkhorshid
Biochimica et Biophysica Acta (BBA)-Biomembranes 1838 (12), 3107-3117, 2014
512014
Mesoscale Reaction–Diffusion Phenomena Governing Lignin‐First Biomass Fractionation
NE Thornburg, MB Pecha, DG Brandner, ML Reed, JV Vermaas, ...
ChemSusChem 13 (17), 4495-4509, 2020
472020
Lignin-KMC: A toolkit for simulating lignin biosynthesis
MJ Orella, TZH Gani, JV Vermaas, ML Stone, EM Anderson, GT Beckham, ...
ACS sustainable chemistry & engineering 7 (22), 18313-18322, 2019
452019
The cellular membrane as a mediator for small molecule interaction with membrane proteins
CG Mayne, MJ Arcario, P Mahinthichaichan, JL Baylon, JV Vermaas, ...
Biochimica et Biophysica Acta (BBA)-Biomembranes 1858 (10), 2290-2304, 2016
432016
The dissociation mechanism of processive cellulases
JV Vermaas, R Kont, GT Beckham, MF Crowley, M Gudmundsson, ...
Proceedings of the National Academy of Sciences 116 (46), 23061-23067, 2019
422019
High-throughput virtual laboratory for drug discovery using massive datasets
J Glaser, JV Vermaas, DM Rogers, J Larkin, S LeGrand, S Boehm, ...
The International Journal of High Performance Computing Applications 35 (5 …, 2021
412021
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