A mixed DFT-MD methodology for the in silico development of drug releasing macrocycles. Calix and thia-calix[N]arenes as carriers for Bosutinib and Sorafenib. - Rodrigo Galindo-Murillo; Luis Enrique Aguilar-Suárez; Joaquín Barroso-Flores (J. Comput. Chem., 2016)

Using Wavelet Analysis To Assist in Identification of Significant Events in Molecular Dynamics Simulations. - Zahra Heidari; Daniel R. Roe; Rodrigo Galindo-Murillo; Jahan B. Ghasemi; Thomas E. Cheatham III (J. Chem. Inf. Model., 2016)

Effect of 4-HNE Modification on ZU5-ANK Domain and the Formation of Their Complex with β-Spectrin: A Molecular Dynamics Simulation Study. - Antistio Alviz-Amador; Rodrigo Galindo-Murillo; Humberto Pérez-González; Erika Rodríguez-Cavallo; Ricardo Vivas-Reyes; Darío Méndez-Cuadro (J. Chem. Inf. Model., 2020)