How hydrophobic drying forces impact the kinetics of molecular recognition

Por Mondal, Jagannath, Morrone, Joseph A., Berne, B. J.
Publicado em 2013

Accelerating physical simulations of proteins by leveraging external knowledge

Por Perez, Alberto, Morrone, Joseph A., Dill, Ken A.
Publicado no Wiley Interdiscip Rev Comput Mol Sci (2017)

Role of water and steric constraints in the kinetics of cavity–ligand unbinding

Por Tiwary, Pratyush, Mondal, Jagannath, Morrone, Joseph A., Berne, B. J.
Publicado no Proc Natl Acad Sci U S A (2015)

Advances in free-energy-based simulations of protein folding and ligand binding

Por Perez, Alberto, Morrone, Joseph A., Simmerling, Carlos, Dill, Ken A.
Publicado no Curr Opin Struct Biol (2016)

Blind protein structure prediction using accelerated free-energy simulations

Por Perez, Alberto, Morrone, Joseph A., Brini, Emiliano, MacCallum, Justin L., Dill, Ken A.
Publicado no Sci Adv (2016)