| Year |
Citation |
Score |
| 2023 |
Wilson AN, St John PC, Marin DH, Hoyt CB, Rognerud EG, Nimlos MR, Cywar RM, Rorrer NA, Shebek KM, Broadbelt LJ, Beckham GT, Crowley MF. PolyID: Artificial Intelligence for Discovering Performance-Advantaged and Sustainable Polymers. Macromolecules. 56: 8547-8557. PMID 38024155 DOI: 10.1021/acs.macromol.3c00994 |
0.453 |
|
| 2023 |
Sarkar D, Bu L, Jakes JE, Zieba JK, Kaufman ID, Crowley MF, Ciesielski PN, Vermaas JV. Diffusion in intact secondary cell wall models of plants at different equilibrium moisture content. Cell Surface (Amsterdam, Netherlands). 9: 100105. PMID 37063382 DOI: 10.1016/j.tcsw.2023.100105 |
0.643 |
|
| 2022 |
Uchiyama T, Uchihashi T, Ishida T, Nakamura A, Vermaas JV, Crowley MF, Samejima M, Beckham GT, Igarashi K. Lytic polysaccharide monooxygenase increases cellobiohydrolases activity by promoting decrystallization of cellulose surface. Science Advances. 8: eade5155. PMID 36563138 DOI: 10.1126/sciadv.ade5155 |
0.739 |
|
| 2022 |
Vermaas JV, Crowley MF, Beckham GT. Molecular simulation of lignin-related aromatic compound permeation through gram-negative bacterial outer membranes. The Journal of Biological Chemistry. 102627. PMID 36273587 DOI: 10.1016/j.jbc.2022.102627 |
0.713 |
|
| 2021 |
Silveira RL, Knott BC, Pereira CS, Crowley MF, Skaf MS, Beckham GT. Transition Path Sampling Study of the Feruloyl Esterase Mechanism. The Journal of Physical Chemistry. B. PMID 33616402 DOI: 10.1021/acs.jpcb.0c09725 |
0.523 |
|
| 2020 |
Bharadwaj VS, Knott BC, Ståhlberg J, Beckham GT, Crowley MF. Reply to Cosgrove: Non-enzymatic action of expansins. The Journal of Biological Chemistry. 295: 6783. PMID 32385097 DOI: 10.1074/Jbc.Rl120.013432 |
0.483 |
|
| 2020 |
Bharadwaj VS, Knott BC, Ståhlberg J, Beckham GT, Crowley MF. The hydrolysis mechanism of a GH45 cellulase and its potential relation to lytic transglycosylase and expansin function. The Journal of Biological Chemistry. PMID 32054684 DOI: 10.1074/Jbc.Ra119.011406 |
0.617 |
|
| 2020 |
Elder T, Río JCd, Ralph J, Rencoret J, Kim H, Beckham GT, Crowley MF. Coupling and reactions of lignols and new lignin monomers: A density functional theory study Acs Sustainable Chemistry & Engineering. 8: 11033-11045. DOI: 10.1021/Acssuschemeng.0C02880 |
0.504 |
|
| 2020 |
Vermaas JV, Kont R, Beckham GT, Crowley MF, Gudmundsson M, Sandgren M, Ståhlberg J, Väljamäe P, Knott BC. The Dissociation Mechanism of the Processive Cellulase TrCel7A Biophysical Journal. 118: 531a-532a. DOI: 10.1016/J.Bpj.2019.11.2916 |
0.519 |
|
| 2019 |
Prates ET, Crowley MF, Skaf MS, Beckham GT. The Catalytic Mechanism of Aryl-Ether Bond Cleavage in Lignin by LigF and LigG. The Journal of Physical Chemistry. B. PMID 31687816 DOI: 10.1021/Acs.Jpcb.9B06243 |
0.605 |
|
| 2019 |
Vermaas JV, Kont R, Beckham GT, Crowley MF, Gudmundsson M, Sandgren M, Ståhlberg J, Väljamäe P, Knott BC. The dissociation mechanism of processive cellulases. Proceedings of the National Academy of Sciences of the United States of America. PMID 31666327 DOI: 10.1073/pnas.1913398116 |
0.766 |
|
| 2019 |
Vermaas JV, Dixon RA, Chen F, Mansfield SD, Boerjan W, Ralph J, Crowley MF, Beckham GT. Passive membrane transport of lignin-related compounds. Proceedings of the National Academy of Sciences of the United States of America. PMID 31659054 DOI: 10.1073/Pnas.1904643116 |
0.739 |
|
| 2019 |
Machovina MM, Mallinson SJB, Knott BC, Meyers AW, Garcia-Borràs M, Bu L, Gado JE, Oliver A, Schmidt GP, Hinchen DJ, Crowley MF, Johnson CW, Neidle EL, Payne CM, Houk KN, et al. Enabling microbial syringol conversion through structure-guided protein engineering. Proceedings of the National Academy of Sciences of the United States of America. PMID 31235604 DOI: 10.1073/pnas.1820001116 |
0.763 |
|
| 2019 |
Ciesielski PN, Wagner R, Bharadwaj VS, Killgore J, Mittal A, Beckham GT, Decker SR, Himmel ME, Crowley MF. Nanomechanics of cellulose deformation reveal molecular defects that facilitate natural deconstruction. Proceedings of the National Academy of Sciences of the United States of America. PMID 31036649 DOI: 10.1073/Pnas.1900161116 |
0.539 |
|
| 2019 |
Vermaas JV, Crowley MF, Beckham GT. A Quantitative Molecular Atlas for Interactions Between Lignin and Cellulose Acs Sustainable Chemistry & Engineering. 7: 19570-19583. DOI: 10.1021/Acssuschemeng.9B04648 |
0.541 |
|
| 2019 |
Chung D, Sarai NS, Knott BC, Hengge N, Russell JF, Yarbrough JM, Brunecky R, Young J, Supekar N, Wall TV, Sammond DW, Crowley MF, Szymanski CM, Wells L, Azadi P, et al. Glycosylation Is Vital for Industrial Performance of Hyperactive Cellulases Acs Sustainable Chemistry & Engineering. 7: 4792-4800. DOI: 10.1021/Acssuschemeng.8B05049 |
0.389 |
|
| 2019 |
Vermaas JV, Beckham GT, Crowley MF. Lignin-Cellulose Binding Affinity Dependence on Cellulose Face and Lignin Composition Biophysical Journal. 116: 295a. DOI: 10.1016/J.Bpj.2018.11.1597 |
0.523 |
|
| 2019 |
Vermaas JV, Petridis L, Ralph J, Crowley MF, Beckham GT. Systematic parameterization of lignin for the CHARMM force field Green Chemistry. 21: 109-122. DOI: 10.1016/J.Bpj.2016.11.2405 |
0.515 |
|
| 2018 |
Vermaas JV, Bentley GJ, Beckham GT, Crowley MF. Membrane Permeability of Terpenoids Explored with Molecular Simulation. The Journal of Physical Chemistry. B. PMID 30352510 DOI: 10.1021/Acs.Jpcb.8B08688 |
0.734 |
|
| 2018 |
Bharadwaj VS, Kim S, Guarnieri MT, Crowley MF. Different Behaviors of a Substrate in P450 Decarboxylase and Hydroxylase Reveal Reactivity-Enabling Actors. Scientific Reports. 8: 12826. PMID 30150737 DOI: 10.1038/S41598-018-31237-4 |
0.409 |
|
| 2018 |
Mallinson SJB, Machovina MM, Silveira RL, Garcia-Borràs M, Gallup N, Johnson CW, Allen MD, Skaf MS, Crowley MF, Neidle EL, Houk KN, Beckham GT, DuBois JL, McGeehan JE. A promiscuous cytochrome P450 aromatic O-demethylase for lignin bioconversion. Nature Communications. 9: 2487. PMID 29950589 DOI: 10.1038/S41467-018-04878-2 |
0.554 |
|
| 2018 |
Prates ET, Guan X, Li Y, Wang X, Chaffey PK, Skaf MS, Crowley MF, Tan Z, Beckham GT. The impact of -glycan chemistry on the stability of intrinsically disordered proteins. Chemical Science. 9: 3710-3715. PMID 29780502 DOI: 10.1039/C7Sc05016J |
0.541 |
|
| 2018 |
Settle AE, Berstis L, Zhang S, Rorrer N, Hu H, Richards R, Beckham G, Crowley M, Vardon D. Iodine-catalyzed isomerization of dimethyl muconate. Chemsuschem. PMID 29687956 DOI: 10.1002/Cssc.201800606 |
0.527 |
|
| 2018 |
Austin HP, Allen MD, Donohoe BS, Rorrer NA, Kearns FL, Silveira RL, Pollard BC, Dominick G, Duman R, El Omari K, Mykhaylyk V, Wagner A, Michener WE, Amore A, Skaf MS, ... Crowley MF, et al. Characterization and engineering of a plastic-degrading aromatic polyesterase. Proceedings of the National Academy of Sciences of the United States of America. PMID 29666242 DOI: 10.1073/Pnas.1718804115 |
0.544 |
|
| 2018 |
Liu B, Kognole AA, Wu M, Westereng B, Crowley MF, Kim S, Dimarogona M, Payne CM, Sandgren M. Structural and molecular dynamics studies of a C1-oxidizing lytic polysaccharide monooxygenase from Heterobasidion irregulare reveal amino acids important for substrate recognition. The Febs Journal. PMID 29660793 DOI: 10.1111/Febs.14472 |
0.79 |
|
| 2018 |
Taylor LE, Knott BC, Baker JO, Alahuhta PM, Hobdey SE, Linger JG, Lunin VV, Amore A, Subramanian V, Podkaminer K, Xu Q, VanderWall TA, Schuster LA, Chaudhari YB, Adney WS, ... Crowley MF, et al. Engineering enhanced cellobiohydrolase activity. Nature Communications. 9: 1186. PMID 29567941 DOI: 10.1038/S41467-018-03501-8 |
0.539 |
|
| 2018 |
Nag A, St John PC, Crowley MF, Bomble YJ. Prediction of reaction knockouts to maximize succinate production by Actinobacillus succinogenes. Plos One. 13: e0189144. PMID 29381705 DOI: 10.1371/Journal.Pone.0189144 |
0.334 |
|
| 2018 |
Vermaas JV, Dellon LD, Broadbelt LJ, Beckham GT, Crowley MF. Automated Transformation of Lignin Topologies into Atomic Structures with LigninBuilder Acs Sustainable Chemistry & Engineering. 7: 3443-3453. DOI: 10.1021/Acssuschemeng.8B05665 |
0.53 |
|
| 2018 |
Vermaas JV, Beckham GT, Crowley MF. Computational Insights into Fuels and Chemicals Extraction from Microbial Biorefineries Biophysical Journal. 114: 99a. DOI: 10.1016/J.Bpj.2017.11.584 |
0.501 |
|
| 2018 |
Ciesielski PN, Pecha MB, Bharadwaj VS, Mukarakate C, Leong GJ, Kappes B, Crowley MF, Kim S, Foust TD, Nimlos MR. Advancing catalytic fast pyrolysis through integrated multiscale modeling and experimentation: Challenges, progress, and perspectives Wiley Interdisciplinary Reviews: Energy and Environment. 7: e297. DOI: 10.1002/Wene.297 |
0.316 |
|
| 2018 |
Settle AE, Berstis L, Zhang S, Rorrer NA, Hu H, Richards RM, Beckham GT, Crowley MF, Vardon DR. Cover Feature: Iodine-Catalyzed Isomerization of Dimethyl Muconate (ChemSusChem 11/2018) Chemsuschem. 11: 1737-1737. DOI: 10.1002/Cssc.201801129 |
0.491 |
|
| 2017 |
Amore A, Knott BC, Supekar NT, Shajahan A, Azadi P, Zhao P, Wells L, Linger JG, Hobdey SE, Vander Wall TA, Shollenberger T, Yarbrough JM, Tan Z, Crowley MF, Himmel ME, et al. Distinct roles of N- and O-glycans in cellulase activity and stability. Proceedings of the National Academy of Sciences of the United States of America. PMID 29229855 DOI: 10.1073/Pnas.1714249114 |
0.663 |
|
| 2017 |
Vermaas JV, Beckham GT, Crowley MF. Membrane Permeability of Fatty Acyl Compounds Studied via Molecular Simulation. The Journal of Physical Chemistry. B. PMID 29040809 DOI: 10.1021/Acs.Jpcb.7B08233 |
0.735 |
|
| 2017 |
Urbanowicz BR, Bharadwaj VS, Alahuhta M, Peña MJ, Lunin VV, Bomble YJ, Wang S, Yang JY, Tuomivaara ST, Himmel ME, Moremen KW, York WS, Crowley MF. Structural, Mutagenic and In Silico studies of Xyloglucan Fucosylation in Arabidopsis thaliana Suggest a Water-Mediated Mechanism. The Plant Journal : For Cell and Molecular Biology. PMID 28670741 DOI: 10.1111/Tpj.13628 |
0.416 |
|
| 2017 |
Elder T, Berstis L, Beckham GT, Crowley MF. Density Functional Theory Study of Spirodienone Stereoisomers in Lignin Acs Sustainable Chemistry & Engineering. 5: 7188-7194. DOI: 10.1021/Acssuschemeng.7B01373 |
0.546 |
|
| 2016 |
Mayes HB, Knott BC, Crowley MF, Broadbelt LJ, Ståhlberg J, Beckham GT. Who's on base? Revealing the catalytic mechanism of inverting family 6 glycoside hydrolases. Chemical Science. 7: 5955-5968. PMID 30155195 DOI: 10.1039/C6Sc00571C |
0.622 |
|
| 2016 |
Elder T, Berstis L, Beckham GT, Crowley MF. Coupling and Reactions of 5-Hydroxyconiferyl Alcohol in Lignin Formation. Journal of Agricultural and Food Chemistry. PMID 27236926 DOI: 10.1021/Acs.Jafc.6B02234 |
0.514 |
|
| 2016 |
Knott BC, Crowley MF, Himmel ME, Zimmer J, Beckham GT. Simulations of cellulose translocation in the bacterial cellulose synthase suggest a regulatory mechanism for the dimeric structure of cellulose. Chemical Science (Royal Society of Chemistry : 2010). 7: 3108-3116. PMID 27143998 DOI: 10.1039/C5Sc04558D |
0.6 |
|
| 2016 |
Miyamoto H, Schnupf U, Crowley MF, Brady JW. Comparison of the simulations of cellulosic crystals with three carbohydrate force fields. Carbohydrate Research. 422: 17-23. PMID 26845704 DOI: 10.1016/J.Carres.2016.01.001 |
0.325 |
|
| 2016 |
Sammond DW, Kastelowitz N, Himmel ME, Yin H, Crowley MF, Bomble YJ. Comparing Residue Clusters from Thermophilic and Mesophilic Enzymes Reveals Adaptive Mechanisms. Plos One. 11: e0145848. PMID 26741367 DOI: 10.1371/Journal.Pone.0145848 |
0.318 |
|
| 2016 |
Berstis L, Elder T, Crowley M, Beckham GT. Radical Nature of C-Lignin Acs Sustainable Chemistry & Engineering. 4: 5327-5335. DOI: 10.1021/Acssuschemeng.6B00520 |
0.527 |
|
| 2015 |
Yarbrough JM, Mittal A, Mansfield E, Taylor LE, Hobdey SE, Sammond DW, Bomble YJ, Crowley MF, Decker SR, Himmel ME, Vinzant TB. New perspective on glycoside hydrolase binding to lignin from pretreated corn stover. Biotechnology For Biofuels. 8: 214. PMID 26691693 DOI: 10.1186/S13068-015-0397-6 |
0.399 |
|
| 2015 |
Berstis L, Beckham GT, Crowley MF. Electronic coupling through natural amino acids. The Journal of Chemical Physics. 143: 225102. PMID 26671404 DOI: 10.1063/1.4936588 |
0.521 |
|
| 2015 |
Chen M, Bu L, Alahuhta M, Brunecky R, Xu Q, Lunin VV, Brady JW, Crowley MF, Himmel ME, Bomble YJ. Strategies to reduce end-product inhibition in family 48 glycoside hydrolases. Proteins. PMID 26572060 DOI: 10.1002/Prot.24965 |
0.394 |
|
| 2015 |
Happs RM, Guan X, Resch MG, Davis MF, Beckham GT, Tan Z, Crowley MF. O-glycosylation effects on family 1 carbohydrate-binding module solution structures. The Febs Journal. PMID 26307003 DOI: 10.1111/Febs.13500 |
0.603 |
|
| 2015 |
Bu L, Himmel ME, Crowley MF. The molecular origins of twist in cellulose I-beta. Carbohydrate Polymers. 125: 146-52. PMID 25857969 DOI: 10.1016/J.Carbpol.2015.02.023 |
0.314 |
|
| 2015 |
Vermaas JV, Crowley MF, Beckham GT, Payne CM. Effects of lytic polysaccharide monooxygenase oxidation on cellulose structure and binding of oxidized cellulose oligomers to cellulases. The Journal of Physical Chemistry. B. 119: 6129-43. PMID 25785779 DOI: 10.1021/Acs.Jpcb.5B00778 |
0.788 |
|
| 2015 |
Happs R, Chen L, Resch M, Davis M, Beckham G, Tan Z, Crowley M. Family 1 Carbohydrate-Binding Module from Trichoderma reesei Cel7A with O-mannose residues at Thr1, Ser3, and Ser14 Journal of Back and Musculoskeletal Rehabilitation. DOI: 10.2210/Pdb2Mwk/Pdb |
0.532 |
|
| 2014 |
Olek AT, Rayon C, Makowski L, Kim HR, Ciesielski P, Badger J, Paul LN, Ghosh S, Kihara D, Crowley M, Himmel ME, Bolin JT, Carpita NC. The structure of the catalytic domain of a plant cellulose synthase and its assembly into dimers. The Plant Cell. 26: 2996-3009. PMID 25012190 DOI: 10.1105/Tpc.114.126862 |
0.361 |
|
| 2014 |
Sammond DW, Yarbrough JM, Mansfield E, Bomble YJ, Hobdey SE, Decker SR, Taylor LE, Resch MG, Bozell JJ, Himmel ME, Vinzant TB, Crowley MF. Predicting enzyme adsorption to lignin films by calculating enzyme surface hydrophobicity. The Journal of Biological Chemistry. 289: 20960-9. PMID 24876380 DOI: 10.1074/Jbc.M114.573642 |
0.354 |
|
| 2014 |
Knott BC, Crowley MF, Himmel ME, Ståhlberg J, Beckham GT. Carbohydrate-protein interactions that drive processive polysaccharide translocation in enzymes revealed from a computational study of cellobiohydrolase processivity. Journal of the American Chemical Society. 136: 8810-9. PMID 24869982 DOI: 10.1021/Ja504074G |
0.623 |
|
| 2014 |
Beckham GT, Ståhlberg J, Knott BC, Himmel ME, Crowley MF, Sandgren M, Sørlie M, Payne CM. Towards a molecular-level theory of carbohydrate processivity in glycoside hydrolases. Current Opinion in Biotechnology. 27: 96-106. PMID 24863902 DOI: 10.1016/J.Copbio.2013.12.002 |
0.704 |
|
| 2014 |
Chen M, Kostylev M, Bomble YJ, Crowley MF, Himmel ME, Wilson DB, Brady JW. Experimental and modeling studies of an unusual water-filled pore structure with possible mechanistic implications in family 48 cellulases. The Journal of Physical Chemistry. B. 118: 2306-15. PMID 24471470 DOI: 10.1021/Jp408767J |
0.395 |
|
| 2014 |
Knott BC, Haddad Momeni M, Crowley MF, Mackenzie LF, Götz AW, Sandgren M, Withers SG, Ståhlberg J, Beckham GT. The mechanism of cellulose hydrolysis by a two-step, retaining cellobiohydrolase elucidated by structural and transition path sampling studies. Journal of the American Chemical Society. 136: 321-9. PMID 24341799 DOI: 10.1021/Ja410291U |
0.601 |
|
| 2014 |
Alekozai EM, GhattyVenkataKrishna PK, Uberbacher EC, Crowley MF, Smith JC, Cheng X. Simulation analysis of the cellulase Cel7A carbohydrate binding module on the surface of the cellulose Iβ Cellulose. 21: 951-971. DOI: 10.1007/S10570-013-0026-0 |
0.341 |
|
| 2013 |
Brunecky R, Alahuhta M, Xu Q, Donohoe BS, Crowley MF, Kataeva IA, Yang SJ, Resch MG, Adams MW, Lunin VV, Himmel ME, Bomble YJ. Revealing nature's cellulase diversity: the digestion mechanism of Caldicellulosiruptor bescii CelA. Science (New York, N.Y.). 342: 1513-6. PMID 24357319 DOI: 10.1126/Science.1244273 |
0.414 |
|
| 2013 |
Payne CM, Jiang W, Shirts MR, Himmel ME, Crowley MF, Beckham GT. Glycoside hydrolase processivity is directly related to oligosaccharide binding free energy. Journal of the American Chemical Society. 135: 18831-9. PMID 24279927 DOI: 10.1021/Ja407287F |
0.716 |
|
| 2013 |
Wu M, Bu L, Vuong TV, Wilson DB, Crowley MF, Sandgren M, Ståhlberg J, Beckham GT, Hansson H. Loop motions important to product expulsion in the Thermobifida fusca glycoside hydrolase family 6 cellobiohydrolase from structural and computational studies. The Journal of Biological Chemistry. 288: 33107-17. PMID 24085303 DOI: 10.1074/Jbc.M113.502765 |
0.616 |
|
| 2013 |
Ciesielski PN, Matthews JF, Tucker MP, Beckham GT, Crowley MF, Himmel ME, Donohoe BS. 3D electron tomography of pretreated biomass informs atomic modeling of cellulose microfibrils. Acs Nano. 7: 8011-9. PMID 23988022 DOI: 10.1021/Nn4031542 |
0.554 |
|
| 2013 |
Lin Y, Beckham GT, Himmel ME, Crowley MF, Chu JW. Endoglucanase peripheral loops facilitate complexation of glucan chains on cellulose via adaptive coupling to the emergent substrate structures. The Journal of Physical Chemistry. B. 117: 10750-8. PMID 23972069 DOI: 10.1021/Jp405897Q |
0.585 |
|
| 2013 |
Payne CM, Resch MG, Chen L, Crowley MF, Himmel ME, Taylor LE, Sandgren M, Ståhlberg J, Stals I, Tan Z, Beckham GT. Glycosylated linkers in multimodular lignocellulose-degrading enzymes dynamically bind to cellulose. Proceedings of the National Academy of Sciences of the United States of America. 110: 14646-51. PMID 23959893 DOI: 10.1073/Pnas.1309106110 |
0.73 |
|
| 2013 |
Taylor CB, Payne CM, Himmel ME, Crowley MF, McCabe C, Beckham GT. Binding site dynamics and aromatic-carbohydrate interactions in processive and non-processive family 7 glycoside hydrolases. The Journal of Physical Chemistry. B. 117: 4924-33. PMID 23534900 DOI: 10.1021/Jp401410H |
0.711 |
|
| 2013 |
Wu M, Beckham GT, Larsson AM, Ishida T, Kim S, Payne CM, Himmel ME, Crowley MF, Horn SJ, Westereng B, Igarashi K, Samejima M, Ståhlberg J, Eijsink VG, Sandgren M. Crystal structure and computational characterization of the lytic polysaccharide monooxygenase GH61D from the Basidiomycota fungus Phanerochaete chrysosporium. The Journal of Biological Chemistry. 288: 12828-39. PMID 23525113 DOI: 10.1074/Jbc.M113.459396 |
0.728 |
|
| 2013 |
Bu L, Crowley MF, Himmel ME, Beckham GT. Computational investigation of the pH dependence of loop flexibility and catalytic function in glycoside hydrolases. The Journal of Biological Chemistry. 288: 12175-86. PMID 23504310 DOI: 10.1074/Jbc.M113.462465 |
0.559 |
|
| 2013 |
Ghattyvenkatakrishna PK, Alekozai EM, Beckham GT, Schulz R, Crowley MF, Uberbacher EC, Cheng X. Initial recognition of a cellodextrin chain in the cellulose-binding tunnel may affect cellobiohydrolase directional specificity. Biophysical Journal. 104: 904-12. PMID 23442969 DOI: 10.1016/J.Bpj.2012.12.052 |
0.597 |
|
| 2012 |
Matthews JF, Beckham GT, Bergenstråhle-Wohlert M, Brady JW, Himmel ME, Crowley MF. Comparison of Cellulose Iβ Simulations with Three Carbohydrate Force Fields. Journal of Chemical Theory and Computation. 8: 735-48. PMID 26596620 DOI: 10.1021/Ct2007692 |
0.537 |
|
| 2012 |
Sammond DW, Payne CM, Brunecky R, Himmel ME, Crowley MF, Beckham GT. Cellulase linkers are optimized based on domain type and function: insights from sequence analysis, biophysical measurements, and molecular simulation. Plos One. 7: e48615. PMID 23139804 DOI: 10.1371/Journal.Pone.0048615 |
0.692 |
|
| 2012 |
Bu L, Nimlos MR, Shirts MR, Ståhlberg J, Himmel ME, Crowley MF, Beckham GT. Product binding varies dramatically between processive and nonprocessive cellulase enzymes. The Journal of Biological Chemistry. 287: 24807-13. PMID 22648408 DOI: 10.1074/Jbc.M112.365510 |
0.599 |
|
| 2012 |
Nimlos MR, Beckham GT, Matthews JF, Bu L, Himmel ME, Crowley MF. Binding preferences, surface attachment, diffusivity, and orientation of a family 1 carbohydrate-binding module on cellulose. The Journal of Biological Chemistry. 287: 20603-12. PMID 22496371 DOI: 10.1074/Jbc.M112.358184 |
0.57 |
|
| 2012 |
Taylor CB, Talib MF, McCabe C, Bu L, Adney WS, Himmel ME, Crowley MF, Beckham GT. Computational investigation of glycosylation effects on a family 1 carbohydrate-binding module. The Journal of Biological Chemistry. 287: 3147-55. PMID 22147693 DOI: 10.1074/Jbc.M111.270389 |
0.574 |
|
| 2012 |
Matthews JF, Beckham GT, Bergenstråhle-Wohlert M, Brady JW, Himmel ME, Crowley MF. Comparison of cellulose Iβ simulations with three carbohydrate force fields Journal of Chemical Theory and Computation. 8: 735-748. DOI: 10.1021/ct2007692 |
0.447 |
|
| 2011 |
Hynninen AP, Matthews JF, Beckham GT, Crowley MF, Nimlos MR. Coarse-Grain Model for Glucose, Cellobiose, and Cellotetraose in Water. Journal of Chemical Theory and Computation. 7: 2137-2150. PMID 26606485 DOI: 10.1021/Ct200092T |
0.535 |
|
| 2011 |
Payne CM, Bomble YJ, Taylor CB, McCabe C, Himmel ME, Crowley MF, Beckham GT. Multiple functions of aromatic-carbohydrate interactions in a processive cellulase examined with molecular simulation. The Journal of Biological Chemistry. 286: 41028-35. PMID 21965672 DOI: 10.1074/Jbc.M111.297713 |
0.73 |
|
| 2011 |
Lin Y, Silvestre-Ryan J, Himmel ME, Crowley MF, Beckham GT, Chu JW. Protein allostery at the solid-liquid interface: endoglucanase attachment to cellulose affects glucan clenching in the binding cleft. Journal of the American Chemical Society. 133: 16617-24. PMID 21877736 DOI: 10.1021/Ja206692G |
0.585 |
|
| 2011 |
Bu L, Beckham GT, Shirts MR, Nimlos MR, Adney WS, Himmel ME, Crowley MF. Probing carbohydrate product expulsion from a processive cellulase with multiple absolute binding free energy methods. The Journal of Biological Chemistry. 286: 18161-9. PMID 21454590 DOI: 10.1074/Jbc.M110.212076 |
0.599 |
|
| 2011 |
Beckham GT, Crowley MF. Examination of the α-chitin structure and decrystallization thermodynamics at the nanoscale. The Journal of Physical Chemistry. B. 115: 4516-22. PMID 21452798 DOI: 10.1021/Jp200912Q |
0.613 |
|
| 2011 |
Beckham GT, Matthews JF, Peters B, Bomble YJ, Himmel ME, Crowley MF. Molecular-level origins of biomass recalcitrance: decrystallization free energies for four common cellulose polymorphs. The Journal of Physical Chemistry. B. 115: 4118-27. PMID 21425804 DOI: 10.1021/Jp1106394 |
0.604 |
|
| 2011 |
Tavagnacco L, Mason PE, Schnupf U, Pitici F, Zhong L, Himmel ME, Crowley M, Cesàro A, Brady JW. Sugar-binding sites on the surface of the carbohydrate-binding module of CBH I from Trichoderma reesei. Carbohydrate Research. 346: 839-46. PMID 21377658 DOI: 10.1016/J.Carres.2011.01.019 |
0.372 |
|
| 2011 |
Matthews JF, Bergenstråhle M, Beckham GT, Himmel ME, Nimlos MR, Brady JW, Crowley MF. High-temperature behavior of cellulose I. The Journal of Physical Chemistry. B. 115: 2155-66. PMID 21338135 DOI: 10.1021/Jp1106839 |
0.529 |
|
| 2011 |
Beckham GT, Bomble YJ, Bayer EA, Himmel ME, Crowley MF. Applications of computational science for understanding enzymatic deconstruction of cellulose. Current Opinion in Biotechnology. 22: 231-8. PMID 21168322 DOI: 10.1016/J.Copbio.2010.11.005 |
0.601 |
|
| 2011 |
Bomble YJ, Beckham GT, Matthews JF, Nimlos MR, Himmel ME, Crowley MF. Modeling the self-assembly of the cellulosome enzyme complex. The Journal of Biological Chemistry. 286: 5614-23. PMID 21098021 DOI: 10.1074/Jbc.M110.186031 |
0.583 |
|
| 2011 |
Payne CM, Himmel ME, Crowley MF, Beckham GT. Decrystallization of oligosaccharides from the cellulose Iβ surface with molecular simulation Journal of Physical Chemistry Letters. 2: 1546-1550. DOI: 10.1021/Jz2005122 |
0.694 |
|
| 2011 |
Hynninen AP, Matthews JF, Beckham GT, Crowley MF, Nimlos MR. Coarse-grain model for glucose, cellobiose, and cellotetraose in water Journal of Chemical Theory and Computation. 7: 2137-2150. DOI: 10.1021/ct200092t |
0.404 |
|
| 2010 |
Beckham GT, Bomble YJ, Matthews JF, Taylor CB, Resch MG, Yarbrough JM, Decker SR, Bu L, Zhao X, McCabe C, Wohlert J, Bergenstråhle M, Brady JW, Adney WS, Himmel ME, ... Crowley MF, et al. The O-glycosylated linker from the Trichoderma reesei Family 7 cellulase is a flexible, disordered protein. Biophysical Journal. 99: 3773-81. PMID 21112302 DOI: 10.1016/J.Bpj.2010.10.032 |
0.573 |
|
| 2010 |
Beckham GT, Matthews JF, Bomble YJ, Bu L, Adney WS, Himmel ME, Nimlos MR, Crowley MF. Identification of amino acids responsible for processivity in a Family 1 carbohydrate-binding module from a fungal cellulase. The Journal of Physical Chemistry. B. 114: 1447-53. PMID 20050714 DOI: 10.1021/Jp908810A |
0.603 |
|
| 2010 |
Beckham GT, Adney WS, Matthews JF, Yarbrough J, Nimlos MR, Himmel ME, Crowley MF. Structure-function relationships in the sub-domains of the Family 7 cellulase from Trichoderma reesei Acs National Meeting Book of Abstracts. |
0.446 |
|
| 2010 |
Crowley MF, Beckham GT, Bu L, Nimlos MR, Adney WS, Himmel ME. Understanding cellobiohydrolase processivity: Computational study of underlying mechanisms Acs National Meeting Book of Abstracts. |
0.457 |
|
| 2009 |
Zhong L, Matthews JF, Hansen PI, Crowley MF, Cleary JM, Walker RC, Nimlos MR, Brooks CL, Adney WS, Himmel ME, Brady JW. Computational simulations of the Trichoderma reesei cellobiohydrolase I acting on microcrystalline cellulose Ibeta: the enzyme-substrate complex. Carbohydrate Research. 344: 1984-92. PMID 19699474 DOI: 10.1016/J.Carres.2009.07.005 |
0.427 |
|
| 2009 |
Bu L, Beckham GT, Crowley MF, Chang CH, Matthews JF, Bomble YJ, Adney WS, Himmel ME, Nimlos MR. The energy landscape for the interaction of the family 1 carbohydrate-binding module and the cellulose surface is altered by hydrolyzed glycosidic bonds. The Journal of Physical Chemistry. B. 113: 10994-1002. PMID 19594145 DOI: 10.1021/Jp904003Z |
0.615 |
|
| 2009 |
Xu J, Crowley MF, Smith JC. Building a foundation for structure-based cellulosome design for cellulosic ethanol: Insight into cohesin-dockerin complexation from computer simulation. Protein Science : a Publication of the Protein Society. 18: 949-59. PMID 19384997 DOI: 10.1002/Pro.105 |
0.38 |
|
| 2008 |
Ding SY, Xu Q, Crowley M, Zeng Y, Nimlos M, Lamed R, Bayer EA, Himmel ME. A biophysical perspective on the cellulosome: new opportunities for biomass conversion. Current Opinion in Biotechnology. 19: 218-27. PMID 18513939 DOI: 10.1016/J.Copbio.2008.04.008 |
0.336 |
|
| 2008 |
Walker RC, Crowley MF, Case DA. The implementation of a fast and accurate QM/MM potential method in Amber. Journal of Computational Chemistry. 29: 1019-31. PMID 18072177 DOI: 10.1002/Jcc.20857 |
0.305 |
|
| 2008 |
Zhong L, Matthews JF, Crowley MF, Rignall T, Talón C, Cleary JM, Walker RC, Chukkapalli G, McCabe C, Nimlos MR, Brooks CL, Himmel ME, Brady JW. Interactions of the complete cellobiohydrolase I from Trichodera reesei with microcrystalline cellulose Iβ Cellulose. 15: 261-273. DOI: 10.1007/S10570-007-9186-0 |
0.341 |
|
| 2007 |
Nimlos MR, Matthews JF, Crowley MF, Walker RC, Chukkapalli G, Brady JW, Adney WS, Cleary JM, Zhong L, Himmel ME. Molecular modeling suggests induced fit of Family I carbohydrate-binding modules with a broken-chain cellulose surface. Protein Engineering, Design & Selection : Peds. 20: 179-87. PMID 17430975 DOI: 10.1093/Protein/Gzm010 |
0.414 |
|
| 2005 |
Taufer M, Crowley M, Price DJ, Chien AA, Brooks CL. Study of a highly accurate and fast protein-ligand docking method based on molecular dynamics Concurrency Computation Practice and Experience. 17: 1627-1641. DOI: 10.1002/Cpe.949 |
0.302 |
|
| 2001 |
Salsbury FR, Crowley MF, Brooks CL. Modeling of the metallo-beta-lactamase from B. fragilis: structural and dynamic effects of inhibitor binding. Proteins. 44: 448-59. PMID 11484222 DOI: 10.1002/Prot.1110 |
0.332 |
|
| 1986 |
Crowley MF, Field RJ. Electrically coupled belousov-zhabotinskii oscillators. 1. Experiments and simulations Journal of Physical Chemistry. 90: 1907-1915. DOI: 10.1021/J100400A033 |
0.489 |
|
| 1985 |
Crowley MF, Field RJ. Observation of a peculiar phenomenon in the cerium-ion-catalyzed Belousov-Zhabotinskii oscillator with acetylacetone in CSTR mode Reaction Kinetics and Catalysis Letters. 28: 233-238. DOI: 10.1007/Bf02062946 |
0.435 |
|
| 1984 |
Crowley MF, Field RJ. Asymptotic solutions of a reduced oregonator model of the Belousov-Zhabotinsky reaction Journal of Physical Chemistry. 88: 762-766. DOI: 10.1021/J150648A030 |
0.476 |
|
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