Molecular Dynamics Simulation Study of Conformational Changes of Transcription Factor TFIIS during RNA Polymerase II Transcriptional Arrest and Reactivation

por Eun, Changsun, Ortiz-Sánchez, Juan Manuel, Da, Lintai, Wang, Dong, McCammon, J. Andrew
Publicado 2014

Exploring the Photophysical Properties of Molecular Systems Using Excited State Accelerated ab Initio Molecular Dynamics

por Ortiz-Sánchez, Juan Manuel, Bucher, Denis, Pierce, Levi C. T., Markwick, Phineus R. L., McCammon, J. Andrew
Publicado 2012

Identification of Potential Small Molecule Binding Pockets on Rho Family GTPases

por Ortiz-Sanchez, Juan Manuel, Nichols, Sara E., Sayyah, Jacqueline, Brown, Joan Heller, McCammon, J. Andrew, Grant, Barry J.
Publicado 2012

On the Role of Dewetting Transitions in Host–Guest Binding Free Energy Calculations

por Rogers, Kathleen E., Ortiz-Sánchez, Juan Manuel, Baron, Riccardo, Fajer, Mikolai, de Oliveira, César Augusto F., McCammon, J. Andrew
Publicado 2012