Perspectives on High-Throughput Ligand/Protein Docking With Martini MD Simulations

by Paulo C. T. Souza, Paulo C. T. Souza, Paulo C. T. Souza, Vittorio Limongelli, Vittorio Limongelli, Sangwook Wu, Sangwook Wu, Siewert J. Marrink, Luca Monticelli
Published 2021-03-01

CHARMM Force Field Parameterization of Peroxisome Proliferator-Activated Receptor γ Ligands

by Melina Mottin, Paulo C. T. Souza, Clarisse G. Ricci, Munir S. Skaf
Published 2016-12-01

Mechanical properties and micro structural analysis of a NiCr alloy cast under different temperatures

by Karina Andrea Novaes Olivieri, Maximiliano P. Neisser, Paulo C. R. Souza, Marco Antônio Bottino
Published 2015-11-01

An alternative conformation of ERβ bound to estradiol reveals H12 in a stable antagonist position

by Paulo C. T. Souza, Larissa C. Textor, Denise C. Melo, Alessandro S. Nascimento, Munir S. Skaf, Igor Polikarpov
Published 2017-06-01

Protein–ligand binding with the coarse-grained Martini model

by Paulo C. T. Souza, Sebastian Thallmair, Paolo Conflitti, Carlos Ramírez-Palacios, Riccardo Alessandri, Stefano Raniolo, Vittorio Limongelli, Siewert J. Marrink
Published 2020-07-01

Membrane mediated toppling mechanism of the folate energy coupling factor transporter

by Ignacio Faustino, Haleh Abdizadeh, Paulo C. T. Souza, Aike Jeucken, Weronika K. Stanek, Albert Guskov, Dirk J. Slotboom, Siewert J. Marrink
Published 2020-04-01

Medium chain fatty acids are selective peroxisome proliferator activated receptor (PPAR) γ activators and pan-PPAR partial agonists.

by Marcelo Vizoná Liberato, Alessandro S Nascimento, Steven D Ayers, Jean Z Lin, Aleksandra Cvoro, Rodrigo L Silveira, Leandro Martínez, Paulo C T Souza, Daniel Saidemberg, Tuo Deng, Angela Angelica Amato, Marie Togashi, Willa A Hsueh, Kevin Phillips, Mário Sérgio Palma, Francisco A R Neves, Munir S Skaf, Paul Webb, Igor Polikarpov
Published 2012-01-01