Michael F Crowley

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Michael HimmelNational Renewable Energy LaboratoryVerified email at nrel.gov
Gregg T. BeckhamNational Renewable Energy LaboratoryVerified email at nrel.gov
Yannick J. BombleNational Renewable Energy LaboratoryVerified email at nrel.gov
James F. MatthewsUCSFVerified email at ucsf.edu
Lintao BuNational Renewable Energy LaboratoryVerified email at nrel.gov
Josh VermaasMichigan State UniversityVerified email at msu.edu
Ross C WalkerVerified email at sdsc.edu
Brandon KnottStaff Engineer, National Renewable Energy LaboratoryVerified email at nrel.gov
Christina M. PayneProgram Director, National Science FoundationVerified email at nsf.gov
Bryon S. DonohoeNational Renewable Energy Laboratory (NREL)Verified email at nrel.gov
Thomas E. Cheatham, IIIProfessor of Medicinal Chemistry; Director Research Computing; University of UtahVerified email at utah.edu
Peter N. CiesielskiPrincipal Scientist & Distinguished Member of Research Staff, National Renewable Energy LabVerified email at nrel.gov
Qi XuSenior scientist of molecular biology, National Renewable Energy LaboratoryVerified email at nrel.gov
mats SandgrenAssociate professor, Department of Chemistry and Biotechnology, Swdish University of AgriculturalVerified email at slu.se
Nicholas A RorrerNational Renewable Energy LaboratoryVerified email at nrel.gov
John BradyCornell UniversityVerified email at cornell.edu
Kenneth M. Merz Jr.Staff, Lerner Research Institute; Professor, Michigan State UniversityVerified email at msu.edu
Charles L. Brooks IIICyrus Levinthal Distinguished University Professor of Chemistry and Biophysics; Warner-Lambert/ParkeVerified email at umich.edu
Michael G. ReschResearch Scientist, National Renewable Energy LaboratoryVerified email at nrel.gov
Deanne SammondVerified email at molecularassemblies.com

Michael F Crowley

Principal Scientist, National Renewable Energy Laboratory

Verified email at nrel.gov

Biofuels molecular dynamics simulation


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Amber 10 DA Case, TA Darden, TE Cheatham, CL Simmerling, J Wang, RE Duke, ... University of California, 2008	12471*	2008
Characterization and engineering of a plastic-degrading aromatic polyesterase HP Austin, MD Allen, BS Donohoe, NA Rorrer, FL Kearns, RL Silveira, ... Proceedings of the National Academy of Sciences 115 (19), E4350-E4357, 2018	979	2018
AMBER 9; University of California: San Francisco, 2006 DA Case, TA Darden, TE Cheatham III, CL Simmerling, J Wang, RE Duke, ... Google Scholar There is no corresponding record for this reference, 9-174, 2014	563*	2014
The implementation of a fast and accurate QM/MM potential method in Amber RC Walker, MF Crowley, DA Case Journal of computational chemistry 29 (7), 1019-1031, 2008	471	2008
Revealing nature’s cellulase diversity: the digestion mechanism of Caldicellulosiruptor bescii CelA R Brunecky, M Alahuhta, Q Xu, BS Donohoe, MF Crowley, IA Kataeva, ... Science 342 (6165), 1513-1516, 2013	349	2013
Experimental and theoretical studies of a coupled chemical oscillator: phase death, multistability and in-phase and out-of-phase entrainment MF Crowley, IR Epstein The Journal of Physical Chemistry 93 (6), 2496-2502, 1989	276	1989
Biomass recalcitrance: deconstructing the plant cell wall for bioenergy. ME Himmel	253	2009
Molecular-level origins of biomass recalcitrance: decrystallization free energies for four common cellulose polymorphs GT Beckham, JF Matthews, B Peters, YJ Bomble, ME Himmel, ... The Journal of Physical Chemistry B 115 (14), 4118-4127, 2011	246	2011
Crystal structure and computational characterization of the lytic polysaccharide monooxygenase GH61D from the Basidiomycota fungus Phanerochaete chrysosporium M Wu, GT Beckham, AM Larsson, T Ishida, S Kim, CM Payne, ME Himmel, ... Journal of biological chemistry 288 (18), 12828-12839, 2013	207	2013
The mechanism of cellulose hydrolysis by a two-step, retaining cellobiohydrolase elucidated by structural and transition path sampling studies BC Knott, M Haddad Momeni, MF Crowley, LF Mackenzie, AW Gotz, ... Journal of the American Chemical Society 136 (1), 321-329, 2014	205	2014
Glycosylated linkers in multimodular lignocellulose-degrading enzymes dynamically bind to cellulose CM Payne, MG Resch, L Chen, MF Crowley, ME Himmel, LE Taylor, ... Proceedings of the National Academy of Sciences 110 (36), 14646-14651, 2013	188	2013
AMBER 12 University of California DA Case, TA Darden, TE Cheatham, CL Simmerling, J Wang, RE Duke, ... San Francisco 1 (3), 2012	182	2012
A promiscuous cytochrome P450 aromatic O-demethylase for lignin bioconversion SJB Mallinson, MM Machovina, RL Silveira, M Garcia-Borràs, N Gallup, ... Nature communications 9 (1), 2487, 2018	177	2018
Predicting enzyme adsorption to lignin films by calculating enzyme surface hydrophobicity DW Sammond, JM Yarbrough, E Mansfield, YJ Bomble, SE Hobdey, ... Journal of Biological Chemistry 289 (30), 20960-20969, 2014	156	2014
Applications of computational science for understanding enzymatic deconstruction of cellulose GT Beckham, YJ Bomble, EA Bayer, ME Himmel, MF Crowley Current opinion in biotechnology 22 (2), 231-238, 2011	155	2011
High-temperature behavior of cellulose I JF Matthews, M Bergenstråhle, GT Beckham, ME Himmel, MR Nimlos, ... The Journal of Physical Chemistry B 115 (10), 2155-2166, 2011	153	2011
Identification of amino acids responsible for processivity in a Family 1 carbohydrate-binding module from a fungal cellulase GT Beckham, JF Matthews, YJ Bomble, L Bu, WS Adney, ME Himmel, ... The Journal of Physical Chemistry B 114 (3), 1447-1453, 2010	153	2010
Comparison of cellulose Iβ simulations with three carbohydrate force fields JF Matthews, GT Beckham, M Bergenstrahle-Wohlert, JW Brady, ... Journal of Chemical Theory and Computation 8 (2), 735-748, 2012	151	2012
Adventures in improving the scaling and accuracy of a parallel molecular dynamics program M Crowley, T Darden, T Cheatham, D Deerfield The Journal of Supercomputing 11, 255-278, 1997	146	1997
New faster CHARMM molecular dynamics engine AP Hynninen, MF Crowley Journal of computational chemistry 35 (5), 406-413, 2014	139	2014

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