A deep neural network model for packing density predictions and its application in the study of 1.5 million organic molecules

por Afzal, Mohammad Atif Faiz, Sonpal, Aditya, Haghighatlari, Mojtaba, Schultz, Andrew J., Hachmann, Johannes
Publicado 2019

Extended experimental inferential structure determination method in determining the structural ensembles of disordered protein states

por Lincoff, James, Haghighatlari, Mojtaba, Krzeminski, Mickael, Teixeira, João M. C., Gomes, Gregory-Neal W., Gradinaru, Claudiu C., Forman-Kay, Julie D., Head-Gordon, Teresa
Publicado 2020

A benchmark dataset for Hydrogen Combustion

por Guan, Xingyi, Das, Akshaya, Stein, Christopher J., Heidar-Zadeh, Farnaz, Bertels, Luke, Liu, Meili, Haghighatlari, Mojtaba, Li, Jie, Zhang, Oufan, Hao, Hongxia, Leven, Itai, Head-Gordon, Martin, Head-Gordon, Teresa
Publicado 2022

NewtonNet: a Newtonian message passing network for deep learning of interatomic potentials and forces

por Haghighatlari, Mojtaba, Li, Jie, Guan, Xingyi, Zhang, Oufan, Das, Akshaya, Stein, Christopher J., Heidar-Zadeh, Farnaz, Liu, Meili, Head-Gordon, Martin, Bertels, Luke, Hao, Hongxia, Leven, Itai, Head-Gordon, Teresa
Publicado 2022

IDPConformerGenerator: A Flexible Software Suite for Sampling the Conformational Space of Disordered Protein States

por Teixeira, João M. C., Liu, Zi Hao, Namini, Ashley, Li, Jie, Vernon, Robert M., Krzeminski, Mickaël, Shamandy, Alaa A., Zhang, Oufan, Haghighatlari, Mojtaba, Yu, Lei, Head-Gordon, Teresa, Forman-Kay, Julie D.
Publicado 2022