Amber 10 DA Case, TA Darden, TE Cheatham, CL Simmerling, J Wang, RE Duke, ... University of California, 2008 | 12315* | 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 | 892 | 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 | 561* | 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 | 453 | 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 | 340 | 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 | 274 | 1989 |
Biomass recalcitrance: deconstructing the plant cell wall for bioenergy. ME Himmel | 251 | 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 | 241 | 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 | 201 | 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 | 194 | 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 | 180 | 2013 |
AMBER 12 University of California DA Case, TA Darden, TE Cheatham, CL Simmerling, J Wang, RE Duke, ... San Francisco 1 (3), 2012 | 180 | 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 | 161 | 2018 |
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 | 153 | 2011 |
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 | 152 | 2014 |
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 | 149 | 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 | 149 | 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 | 148 | 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 | 144 | 1997 |
A biophysical perspective on the cellulosome: new opportunities for biomass conversion SY Ding, Q Xu, M Crowley, Y Zeng, M Nimlos, R Lamed, EA Bayer, ... Current Opinion in Biotechnology 19 (3), 218-227, 2008 | 137 | 2008 |