New faster CHARMM molecular dynamics engine

por Hynninen, Antti-Pekka, Crowley, Michael F
Publicado 2014

Towards Elucidating Structure–Spectra Relationships in Rhamnogalacturonan II: Computational Protocols for Accurate (13)C and (1)H Shifts for Apiose and Its Borate Esters

por Bharadwaj, Vivek S., Westawker, Luke P., Crowley, Michael F.
Publicado 2022

Molecular simulation of lignin-related aromatic compound permeation through gram-negative bacterial outer membranes

por Vermaas, Josh V., Crowley, Michael F., Beckham, Gregg T.
Publicado 2022

Different Behaviors of a Substrate in P450 Decarboxylase and Hydroxylase Reveal Reactivity-Enabling Actors

por Bharadwaj, Vivek S., Kim, Seonah, Guarnieri, Michael T., Crowley, Michael F.
Publicado 2018

Efficient estimation of the maximum metabolic productivity of batch systems

por St. John, Peter C., Crowley, Michael F., Bomble, Yannick J.
Publicado 2017

Prediction of reaction knockouts to maximize succinate production by Actinobacillus succinogenes

por Nag, Ambarish, St. John, Peter C., Crowley, Michael F., Bomble, Yannick J.
Publicado 2018

Simulations of cellulose translocation in the bacterial cellulose synthase suggest a regulatory mechanism for the dimeric structure of cellulose

por Knott, Brandon C., Crowley, Michael F., Himmel, Michael E., Zimmer, Jochen, Beckham, Gregg T.
Publicado 2016

Binding Preferences, Surface Attachment, Diffusivity, and Orientation of a Family 1 Carbohydrate-binding Module on Cellulose

por Nimlos, Mark R., Beckham, Gregg T., Matthews, James F., Bu, Lintao, Himmel, Michael E., Crowley, Michael F.
Publicado 2012

Cellulase Linkers Are Optimized Based on Domain Type and Function: Insights from Sequence Analysis, Biophysical Measurements, and Molecular Simulation

por Sammond, Deanne W., Payne, Christina M., Brunecky, Roman, Himmel, Michael E., Crowley, Michael F., Beckham, Gregg T.
Publicado 2012

Comparing Residue Clusters from Thermophilic and Mesophilic Enzymes Reveals Adaptive Mechanisms

por Sammond, Deanne W., Kastelowitz, Noah, Himmel, Michael E., Yin, Hang, Crowley, Michael F., Bomble, Yannick J.
Publicado 2016

Who's on base? Revealing the catalytic mechanism of inverting family 6 glycoside hydrolases

por Mayes, Heather B., Knott, Brandon C., Crowley, Michael F., Broadbelt, Linda J., Ståhlberg, Jerry, Beckham, Gregg T.
Publicado 2016

Probing Carbohydrate Product Expulsion from a Processive Cellulase with Multiple Absolute Binding Free Energy Methods

por Bu, Lintao, Beckham, Gregg T., Shirts, Michael R., Nimlos, Mark R., Adney, William S., Himmel, Michael E., Crowley, Michael F.
Publicado 2011

The impact of O-glycan chemistry on the stability of intrinsically disordered proteins

por Prates, Erica T., Guan, Xiaoyang, Li, Yaohao, Wang, Xinfeng, Chaffey, Patrick K., Skaf, Munir S., Crowley, Michael F., Tan, Zhongping, Beckham, Gregg T.
Publicado 2018

Lytic polysaccharide monooxygenase increases cellobiohydrolases activity by promoting decrystallization of cellulose surface

por Uchiyama, Taku, Uchihashi, Takayuki, Ishida, Takuya, Nakamura, Akihiko, Vermaas, Josh V., Crowley, Michael F., Samejima, Masahiro, Beckham, Gregg T., Igarashi, Kiyohiko
Publicado 2022

Nanomechanics of cellulose deformation reveal molecular defects that facilitate natural deconstruction

por Ciesielski, Peter N., Wagner, Ryan, Bharadwaj, Vivek S., Killgore, Jason, Mittal, Ashutosh, Beckham, Gregg T., Decker, Stephen R., Himmel, Michael E., Crowley, Michael F.
Publicado 2019

New perspective on glycoside hydrolase binding to lignin from pretreated corn stover

por Yarbrough, John M., Mittal, Ashutosh, Mansfield, Elisabeth, Taylor, Larry E., Hobdey, Sarah E., Sammond, Deanne W., Bomble, Yannick J., Crowley, Michael F., Decker, Stephen R., Himmel, Michael E., Vinzant, Todd B.
Publicado 2015

PolyID: Artificial Intelligence for Discovering Performance-Advantaged and Sustainable Polymers

por Wilson, A. Nolan, St John, Peter C., Marin, Daniela H., Hoyt, Caroline B., Rognerud, Erik G., Nimlos, Mark R., Cywar, Robin M., Rorrer, Nicholas A., Shebek, Kevin M., Broadbelt, Linda J., Beckham, Gregg T., Crowley, Michael F.
Publicado 2023

A promiscuous cytochrome P450 aromatic O-demethylase for lignin bioconversion

por Mallinson, Sam J. B., Machovina, Melodie M., Silveira, Rodrigo L., Garcia-Borràs, Marc, Gallup, Nathan, Johnson, Christopher W., Allen, Mark D., Skaf, Munir S., Crowley, Michael F., Neidle, Ellen L., Houk, Kendall N., Beckham, Gregg T., DuBois, Jennifer L., McGeehan, John E.
Publicado 2018

Engineering enhanced cellobiohydrolase activity

por Taylor, Larry E., Knott, Brandon C., Baker, John O., Alahuhta, P. Markus, Hobdey, Sarah E., Linger, Jeffrey G., Lunin, Vladimir V., Amore, Antonella, Subramanian, Venkataramanan, Podkaminer, Kara, Xu, Qi, VanderWall, Todd A., Schuster, Logan A., Chaudhari, Yogesh B., Adney, William S., Crowley, Michael F., Himmel, Michael E., Decker, Stephen R., Beckham, Gregg T.
Publicado 2018

Enabling microbial syringol conversion through structure-guided protein engineering

por Machovina, Melodie M., Mallinson, Sam J. B., Knott, Brandon C., Meyers, Alexander W., Garcia-Borràs, Marc, Bu, Lintao, Gado, Japheth E., Oliver, April, Schmidt, Graham P., Hinchen, Daniel J., Crowley, Michael F., Johnson, Christopher W., Neidle, Ellen L., Payne, Christina M., Houk, Kendall N., Beckham, Gregg T., McGeehan, John E., DuBois, Jennifer L.
Publicado 2019