2016

Zeynab Fakhar, Suhashni Naiker, Claudio N. Alves, Thavendran Govender, Glenn E.M. Maguire, Jeronimo Lameira, Gyanu Lamichhane, Hendrik G. Kruger & Bahareh Honarparvar (2016) A comparative modeling and molecular docking study on Mycobacterium tuberculosis targets involved in peptidoglycan biosynthesis, Journal of Biomolecular Structure and Dynamics, 34:11, 2399-2417, DOI: 10.1080/07391102.2015.1117397.

Miranda Costa, Kelly; Nahum Alves, Cláudio; Rogério Araújo Silva, José; Lameira, Jerônimo. A Computational Analysis of Indomethacin Derivative as Tubulin Inhibitor: Insights into Development of Chemotherapeutic Agents. Combinatorial Chemistry & High Throughput Screening, Volume 19, Number 6, 2016, pp. 431-436(6), BOOK.

Lockhat, H.A., Silva, J.R.A., Alves, C.N., Govender, T., Lameira, J., Maguire, G.E.M., Sayed, Y. and Kruger, H.G. (2016), Binding Free Energy Calculations of Nine FDA-approved Protease Inhibitors Against HIV-1 Subtype C I36T↑T Containing 100 Amino Acids Per Monomer. Chem Biol Drug Des, 87: 487-498. DOI: 10.1111/cbdd.12690.

Jerônimo Lameira, Ilya Kupchencko, and Arieh Warshel. Enhancing Paradynamics for QM/MM Sampling of Enzymatic Reactions. The Journal of Physical Chemistry B 2016 120 (9), 2155-2164, DOI: 10.1021/acs.jpcb.5b11966.

José Rogério A. Silva, William R. Bishai, Thavendran Govender, Gyanu Lamichhane, Glenn E.M. Maguire, Hendrik G. Kruger, Jeronimo Lameira & Cláudio N. Alves (2016) Targeting the cell wall of Mycobacterium tuberculosis: a molecular modeling investigation of the interaction of imipenem and meropenem with L,D-transpeptidase 2, Journal of Biomolecular Structure and Dynamics, 34:2, 304-317, DOI: 10.1080/07391102.2015.1029000.

Lima, A. H. and Alves, C. N. and Prasad, R. and Lameira, J. Exploring the origin of the catalytic power and product specificity of SET domain protein methyltransferase. Mol. BioSyst., 12:10, 2980-2983, DOI: 10.1039/C6MB00414H.