Ensemble Docking in Drug Discovery
Amaro, Rommie E, Baudry, Jerome, Chodera, John, Demir, Özlem, McCammon, J Andrew, Miao, Yinglong, Smith, Jeremy C
Published in Biophysical journal (22.05.2018)
Published in Biophysical journal (22.05.2018)
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Allosteric Effects of Sodium Ion Binding on Activation of the M3 Muscarinic G-Protein-Coupled Receptor
Miao, Yinglong, Caliman, Alisha D., McCammon, J. Andrew
Published in Biophysical journal (07.04.2015)
Published in Biophysical journal (07.04.2015)
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Molecular dynamics simulations of biomolecules
Karplus, Martin, McCammon, J. Andrew
Published in Nature structural & molecular biology (01.09.2002)
Published in Nature structural & molecular biology (01.09.2002)
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Journal Article
Allostery in Its Many Disguises: From Theory to Applications
Wodak, Shoshana J., Paci, Emanuele, Dokholyan, Nikolay V., Berezovsky, Igor N., Horovitz, Amnon, Li, Jing, Hilser, Vincent J., Bahar, Ivet, Karanicolas, John, Stock, Gerhard, Hamm, Peter, Stote, Roland H., Eberhardt, Jerome, Chebaro, Yassmine, Dejaegere, Annick, Cecchini, Marco, Changeux, Jean-Pierre, Bolhuis, Peter G., Vreede, Jocelyne, Faccioli, Pietro, Orioli, Simone, Ravasio, Riccardo, Yan, Le, Brito, Carolina, Wyart, Matthieu, Gkeka, Paraskevi, Rivalta, Ivan, Palermo, Giulia, McCammon, J. Andrew, Panecka-Hofman, Joanna, Wade, Rebecca C., Di Pizio, Antonella, Niv, Masha Y., Nussinov, Ruth, Tsai, Chung-Jung, Jang, Hyunbum, Padhorny, Dzmitry, Kozakov, Dima, McLeish, Tom
Published in Structure (London) (02.04.2019)
Published in Structure (London) (02.04.2019)
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Gating mechanism of elongating β-ketoacyl-ACP synthases
Mindrebo, Jeffrey T., Patel, Ashay, Kim, Woojoo E., Davis, Tony D., Chen, Aochiu, Bartholow, Thomas G., La Clair, James J., McCammon, J. Andrew, Noel, Joseph P., Burkart, Michael D.
Published in Nature communications (07.04.2020)
Published in Nature communications (07.04.2020)
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Journal Article
3D mesh processing using GAMer 2 to enable reaction-diffusion simulations in realistic cellular geometries
Lee, Christopher T, Laughlin, Justin G, Angliviel de La Beaumelle, Nils, Amaro, Rommie E, McCammon, J Andrew, Ramamoorthi, Ravi, Holst, Michael, Rangamani, Padmini
Published in PLoS computational biology (01.04.2020)
Published in PLoS computational biology (01.04.2020)
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Journal Article
Exploring the role of receptor flexibility in structure-based drug discovery
Feixas, Ferran, Lindert, Steffen, Sinko, William, McCammon, J. Andrew
Published in Biophysical chemistry (01.02.2014)
Published in Biophysical chemistry (01.02.2014)
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Journal Article
Novel allosteric sites on Ras for lead generation
Grant, Barry J, Lukman, Suryani, Hocker, Harrison J, Sayyah, Jaqueline, Brown, Joan Heller, McCammon, J Andrew, Gorfe, Alemayehu A
Published in PloS one (25.10.2011)
Published in PloS one (25.10.2011)
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Journal Article
Large conformational changes in proteins: signaling and other functions
Grant, Barry J, Gorfe, Alemayehu A, McCammon, J Andrew
Published in Current opinion in structural biology (01.04.2010)
Published in Current opinion in structural biology (01.04.2010)
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Journal Article
Effects of HCM cTnI Mutation R145G on Troponin Structure and Modulation by PKA Phosphorylation Elucidated by Molecular Dynamics Simulations
Lindert, Steffen, Cheng, Yuanhua, Kekenes-Huskey, Peter, Regnier, Michael, McCammon, J. Andrew
Published in Biophysical journal (20.01.2015)
Published in Biophysical journal (20.01.2015)
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Journal Article
Structure, mechanism, and dynamics of UDP-galactopyranose mutase
Tanner, John J., Boechi, Leonardo, Andrew McCammon, J., Sobrado, Pablo
Published in Archives of biochemistry and biophysics (15.02.2014)
Published in Archives of biochemistry and biophysics (15.02.2014)
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Journal Article
Bio3d: an R package for the comparative analysis of protein structures
Grant, Barry J., Rodrigues, Ana P. C., ElSawy, Karim M., McCammon, J. Andrew, Caves, Leo S. D.
Published in Bioinformatics (01.11.2006)
Published in Bioinformatics (01.11.2006)
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