Estimation of the breadth of CD4bs targeting HIV antibodies by molecular modeling and machine learning. - Simone Conti; Martin Karplus (PLoS Comput. Biol., 2019)

ppdx: Automated modeling of protein-protein interaction descriptors for use with machine learning. - Simone Conti; Victor Ovchinnikov; Martin Karplus (J. Comput. Chem., 2022)

Multiscale affinity maturation simulations to elicit broadly neutralizing antibodies against HIV. - Simone Conti; Victor Ovchinnikov; Jonathan G. Faris; Arup K. Chakraborty; Martin Karplus; Kayla G. Sprenger (PLoS Comput. Biol., 2022)