2013

B, Ram Prasad and Plotnikov, Nikolay V. and Lameira, Jeronimo and Warshel, Arieh. Quantitative exploration of the molecular origin of the activation of GTPase. National Academy of Sciences, 110:51, 20509-20514 p, DOI: 10.1073/pnas.1319854110

Ronaldo Correia da Silva and Nelson Alberto N. de Alencar and Cláudio Nahum Alves and Jerônimo Lameira. Analysis of the structure of calpain-10 and its interaction with the protease inhibitor SNJ-1715. Computers in Biology and Medicine, 43:10, 1334-1340 p, 0010-4825, DOI: 10.1016/j.compbiomed.2013.07.010.

Josenaide P. do Nascimento and José Rogério Araújo Silva and Jerônimo Lameira and Cláudio N. Alves. Metal-dependent inhibition of HIV-1 integrase by 5CITEP inhibitor: A theoretical QM/MM approach. Chemical Physics Letters, 583, 175-179 p, 0009-2614, DOI: 10.1016/j.cplett.2013.08.006.

Sousa, P.R.M., de Alencar, N.A.N., Lima, A.H., Lameira, J. and Alves, C.N. (2013), Protein–Ligand Interaction Study of CpOGA in Complex with GlcNAcstatin. Chemical Biology & Drug Design, 81: 284-290. DOI: 10.1111/cbdd.12078

Reis, Mauro and Alves, Cláudio Nahum and Lameira, Jerônimo and Tuñón, Iñaki and Martí, Sergio and Moliner, Vicent. The catalytic mechanism of glyceraldehyde 3-phosphate dehydrogenase from Trypanosoma cruzi elucidated via the QM/MM approach. Phys. Chem. Chem. Phys., 15:11, 3772-3785, DOI: 10.1039/C3CP43968B.

de Farias Silva, Natália and Lameira, Jerônimo and Alves, Cláudio Nahum and Martí, Sergio. Computational study of the mechanism of half-reactions in class 1A dihydroorotate dehydrogenase from Trypanosoma cruzi. Phys. Chem. Chem. Phys., 15:43, 18863-18871, DOI: 10.1039/C3CP52692E.