LongBondEliminator: A Molecular Simulation Tool to Remove Ring Penetrations in Biomolecular Simulation Systems

por Sarkar, Daipayan, Kulke, Martin, Vermaas, Josh V.
Publicado 2023

Electrostatic lock in the transport cycle of the multidrug resistance transporter EmrE

por Vermaas, Josh V., Rempe, Susan B., Tajkhorshid, Emad
Publicado 2018

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

Plant Terpenoid Permeability through Biological Membranes Explored via Molecular Simulations

por Raza, Saad, Miller, Mykayla, Hamberger, Björn, Vermaas, Josh V.
Publicado 2023

Partitioning of Amino Acids into a Model Membrane: Capturing the Interface

por Pogorelov, Taras V., Vermaas, Josh V., Arcario, Mark J., Tajkhorshid, Emad
Publicado 2014

Characterization of promoter elements of isoprene‐responsive genes and the ability of isoprene to bind START domain transcription factors

por Weraduwage, Sarathi M., Sahu, Abira, Kulke, Martin, Vermaas, Josh V., Sharkey, Thomas D.
Publicado 2023

Mechanism of lignin inhibition of enzymatic biomass deconstruction

por Vermaas, Josh V., Petridis, Loukas, Qi, Xianghong, Schulz, Roland, Lindner, Benjamin, Smith, Jeremy. C.
Publicado 2015

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

SARS-CoV2 billion-compound docking

por Rogers, David M., Agarwal, Rupesh, Vermaas, Josh V., Smith, Micholas Dean, Rajeshwar, Rajitha T., Cooper, Connor, Sedova, Ada, Boehm, Swen, Baker, Matthew, Glaser, Jens, Smith, Jeremy C.
Publicado 2023

Inhibitor binding influences the protonation states of histidines in SARS-CoV-2 main protease

por Pavlova, Anna, Lynch, Diane L., Daidone, Isabella, Zanetti-Polzi, Laura, Smith, Micholas Dean, Chipot, Chris, Kneller, Daniel W., Kovalevsky, Andrey, Coates, Leighton, Golosov, Andrei A., Dickson, Callum J., Velez-Vega, Camilo, Duca, José S., Vermaas, Josh V., Pang, Yui Tik, Acharya, Atanu, Parks, Jerry M., Smith, Jeremy C., Gumbart, James C.
Publicado 2020

ChAdOx1 interacts with CAR and PF4 with implications for thrombosis with thrombocytopenia syndrome

por Baker, Alexander T., Boyd, Ryan J., Sarkar, Daipayan, Teijeira-Crespo, Alicia, Chan, Chun Kit, Bates, Emily, Waraich, Kasim, Vant, John, Wilson, Eric, Truong, Chloe D., Lipka-Lloyd, Magdalena, Fromme, Petra, Vermaas, Josh, Williams, Dewight, Machiesky, LeeAnn, Heurich, Meike, Nagalo, Bolni M., Coughlan, Lynda, Umlauf, Scott, Chiu, Po-Lin, Rizkallah, Pierre J., Cohen, Taylor S., Parker, Alan L., Singharoy, Abhishek, Borad, Mitesh J.
Publicado 2021