2015

Honarparvar, B., Pawar, S.A., Alves, C.N. et al. Pentacycloundecane lactam vs lactone norstatine type protease HIV inhibitors: binding energy calculations and DFT study. J Biomed Sci 22, 15 (2015). DOI: 10.1186/s12929-015-0115-5.

Estarellas, C. [et al.]. Theoretical study on the activation mechanism of AMP-kinase by means of Molecular Dynamics Simulations. A: "BSC Doctoral Symposium (2nd: 2015: Barcelona)". 2nd ed. Barcelona: Barcelona Supercomputing Center, 2015, p. 132-133. BOOK.

Gleiciane Leal Moraes and Guelber Cardoso Gomes and Paulo Robson Monteiro de Sousa and Cláudio Nahum Alves and Thavendran Govender and Hendrik G. Kruger and Glenn E.M. Maguire and Gyanu Lamichhane and Jerônimo Lameira. Structural and functional features of enzymes of Mycobacterium tuberculosis peptidoglycan biosynthesis as targets for drug development. Tuberculosis, 95:2, 95-111 p, 1472-9792, DOI: 10.1016/j.tube.2015.01.006.

Lameira, J., Bora, R.P., Chu, Z.T. and Warshel, A. (2015), Methyltransferases do not work by compression, cratic, or desolvation effects, but by electrostatic preorganization. Proteins, 83: 318-330.DOI: 10.1002/prot.24717.

Silva, José Rogério A. and Govender, Thavendran and Maguire, Glenn E. M. and Kruger, Hendrik G. and Lameira, Jerônimo and Roitberg, Adrian E. and Alves, Cláudio Nahum. Simulating the inhibition reaction of Mycobacterium tuberculosisl L,D-transpeptidase 2 by carbapenems. Chem. Commun., 51:63, 12560-12562, DOI: 10.1039/C5CC03202D.