| Coupled-cluster methods including noniterative corrections for quadruple excitations YJ Bomble, JF Stanton, M Kállay, J Gauss The Journal of chemical physics 123 (5), 2005 | 460 | 2005 |
| Computational study of bond dissociation enthalpies for a large range of native and modified lignins S Kim, SC Chmely, MR Nimlos, YJ Bomble, TD Foust, RS Paton, ... The Journal of Physical Chemistry Letters 2 (22), 2846-2852, 2011 | 439 | 2011 |
| High-accuracy extrapolated ab initio thermochemistry. II. Minor improvements to the protocol and a vital simplification YJ Bomble, J Vázquez, M Kállay, C Michauk, PG Szalay, AG Császár, ... The Journal of chemical physics 125 (6), 2006 | 405 | 2006 |
| 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 | 345 | 2013 |
| 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 | 252 | 2011 |
| CFour JF Stanton, J Gauss, ME Harding, PG Szalay, AA Auer, RJ Bartlett, ... A quantum chemical program package, 2016 | 200 | 2016 |
| Toward low-cost biological and hybrid biological/catalytic conversion of cellulosic biomass to fuels LR Lynd, GT Beckham, AM Guss, LN Jayakody, EM Karp, C Maranas, ... Energy & Environmental Science 15 (3), 938-990, 2022 | 180 | 2022 |
| Innovative chemicals and materials from bacterial aromatic catabolic pathways CW Johnson, D Salvachúa, NA Rorrer, BA Black, DR Vardon, PCS John, ... Joule 3 (6), 1523-1537, 2019 | 178 | 2019 |
| 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 |
| 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 | 153 | 2014 |
| 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 | 152 | 2010 |
| Dramatic performance of Clostridium thermocellum explained by its wide range of cellulase modalities Q Xu, MG Resch, K Podkaminer, S Yang, JO Baker, BS Donohoe, ... Science advances 2 (2), e1501254, 2016 | 151 | 2016 |
| Lignocellulose deconstruction in the biosphere YJ Bomble, CY Lin, A Amore, H Wei, EK Holwerda, PN Ciesielski, ... Current opinion in chemical biology 41, 61-70, 2017 | 135 | 2017 |
| Multifunctional cellulolytic enzymes outperform processive fungal cellulases for coproduction of nanocellulose and biofuels JM Yarbrough, R Zhang, A Mittal, T Vander Wall, YJ Bomble, SR Decker, ... Acs Nano 11 (3), 3101-3109, 2017 | 123 | 2017 |
| Multiple functions of aromatic-carbohydrate interactions in a processive cellulase examined with molecular simulation CM Payne, YJ Bomble, CB Taylor, C McCabe, ME Himmel, MF Crowley, ... Journal of Biological Chemistry 286 (47), 41028-41035, 2011 | 119 | 2011 |
| The O-glycosylated linker from the Trichoderma reesei Family 7 cellulase is a flexible, disordered protein GT Beckham, YJ Bomble, JF Matthews, CB Taylor, MG Resch, ... Biophysical journal 99 (11), 3773-3781, 2010 | 119 | 2010 |
| Threshold detection using indicator-displacement assays: an application in the analysis of malate in Pinot Noir grapes AM Pia̧tek, YJ Bomble, SL Wiskur, EV Anslyn Journal of the American Chemical Society 126 (19), 6072-6077, 2004 | 110 | 2004 |
| the integral packages MOLECULE (Almlöf, J.; Taylor, PR), PROPS (Taylor, PR), ABACUS (Helgaker, T.; Jensen, HJ Aa.; Jørgensen, P.; Olsen, J.), and ECP routines by Mitin, AV; van … RJ Bartlett, U Benedikt, C Berger, DE Bernholdt, YJ Bomble, L Cheng, ... For the current version, see http://www. cfour. de, 2015 | 102 | 2015 |
| New perspective on glycoside hydrolase binding to lignin from pretreated corn stover JM Yarbrough, A Mittal, E Mansfield, LE Taylor, SE Hobdey, ... Biotechnology for Biofuels 8, 1-14, 2015 | 92 | 2015 |
| The energy landscape for the interaction of the family 1 carbohydrate-binding module and the cellulose surface is altered by hydrolyzed glycosidic bonds L Bu, GT Beckham, MF Crowley, CH Chang, JF Matthews, YJ Bomble, ... The Journal of Physical Chemistry B 113 (31), 10994-11002, 2009 | 92 | 2009 |
Michael F CrowleyPrincipal Scientist, National Renewable Energy LaboratoryE-mail confirmado em nrel.gov