Simulating Protein Mediated Hydrolysis of ATP and Other Nucleoside Triphosphates by Combining QM/MM Molecular Dynamics with Advances in Metadynamics

por Sun, Rui, Sode, Olaseni, Dama, James F., Voth, Gregory A.
Publicado 2017

Exploring Valleys without Climbing Every Peak: More Efficient and Forgiving Metabasin Metadynamics via Robust On-the-Fly Bias Domain Restriction

por Dama, James F., Hocky, Glen M., Sun, Rui, Voth, Gregory A.
Publicado 2015

Coarse-grained simulation reveals key features of HIV-1 capsid self-assembly

por Grime, John M. A., Dama, James F., Ganser-Pornillos, Barbie K., Woodward, Cora L., Jensen, Grant J., Yeager, Mark, Voth, Gregory A.
Publicado 2016