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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, J Smith
Biotechnology for biofuels 8 (1), 1-16, 2015
1982015
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
1112020
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
892015
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
862019
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
802015
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
722021
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
632020
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
512014
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
482016
Conformational heterogeneity of α-synuclein in membrane
JV Vermaas, E Tajkhorshid
Biochimica et Biophysica Acta (BBA)-Biomembranes 1838 (12), 3107-3117, 2014
452014
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
432020
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
432018
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
422019
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
402021
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
402016
Atomic-level description of protein–lipid interactions using an accelerated membrane model
JL Baylon, JV Vermaas, MP Muller, MJ Arcario, TV Pogorelov, ...
Biochimica et Biophysica Acta (BBA)-Biomembranes 1858 (7), 1573-1583, 2016
342016
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
332019
Differential membrane binding mechanics of synaptotagmin isoforms observed in atomic detail
JV Vermaas, E Tajkhorshid
Biochemistry 56 (1), 281-293, 2017
332017
A microscopic view of phospholipid insertion into biological membranes
JV Vermaas, E Tajkhorshid
The Journal of Physical Chemistry B 118 (7), 1754-1764, 2014
312014
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
302020
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Articles 1–20