Concerted conformational dynamics and water movements in the ghrelin G protein-coupled receptor
Louet, Maxime, Casiraghi, Marina, Damian, Marjorie, Costa, Mauricio GS, Renault, Pedro, Gomes, Antoniel AS, Batista, Paulo R, M'Kadmi, Céline, Mary, Sophie, Cantel, Sonia, Denoyelle, Severine, Ben Haj Salah, Khoubaib, Perahia, David, Bisch, Paulo M, Fehrentz, Jean-Alain, Catoire, Laurent J, Floquet, Nicolas, Banères, Jean-Louis
Published in eLife (03.09.2021)
Published in eLife (03.09.2021)
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Journal Article
MDFF_NM: Improved Molecular Dynamics Flexible Fitting into Cryo-EM Density Maps with a Multireplica Normal Mode-Based Search
Dahmani, Zakaria L., Scott, Ana Ligia, Vénien-Bryan, Catherine, Perahia, David, Costa, Mauricio G.S
Published in Journal of chemical information and modeling (08.07.2024)
Published in Journal of chemical information and modeling (08.07.2024)
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Journal Article
Conformational Equilibrium of CDK/Cyclin Complexes by Molecular Dynamics with Excited Normal Modes
Floquet, Nicolas, Costa, Mauricio G.S., Batista, Paulo R., Renault, Pedro, Bisch, Paulo M., Raussin, Florent, Martinez, Jean, Morris, May C., Perahia, David
Published in Biophysical journal (15.09.2015)
Published in Biophysical journal (15.09.2015)
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Journal Article
Impact of M36I polymorphism on the interaction of HIV-1 protease with its substrates: insights from molecular dynamics
Costa, Mauricio G S, Benetti-Barbosa, Técio G, Desdouits, Nathan, Blondel, Arnaud, Bisch, Paulo M, Pascutti, Pedro G, Batista, Paulo R
Published in BMC genomics (2014)
Published in BMC genomics (2014)
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Journal Article
How does heparin prevent the pH inactivation of cathepsin B? Allosteric mechanism elucidated by docking and molecular dynamics
Costa, Mauricio G S, Batista, Paulo R, Shida, Cláudio S, Robert, Charles H, Bisch, Paulo M, Pascutti, Pedro G
Published in BMC genomics (22.12.2010)
Published in BMC genomics (22.12.2010)
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Journal Article
Dynamic Motion and Communication in the Streptococcal C1 Phage Lysin, PlyC: e0140219
Riley, Blake T, Broendum, Sebastian S, Reboul, Cyril F, Cowieson, Nathan P, Costa, Mauricio GS, Kass, Itamar, Jackson, Colin, Perahia, David, Buckle, Ashley M, McGowan, Sheena
Published in PloS one (01.10.2015)
Published in PloS one (01.10.2015)
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Journal Article
Understanding the HIV-1 protease nelfinavir resistance mutation D30N in subtypes B and C through molecular dynamics simulations
Soares, Rosemberg O., Batista, Paulo R., Costa, Mauricio G.S., Dardenne, Laurent E., Pascutti, Pedro G., Soares, Marcelo A.
Published in Journal of molecular graphics & modelling (01.09.2010)
Published in Journal of molecular graphics & modelling (01.09.2010)
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