Gustavo de M. Seabra

Publication Activity (10 Years)

Years Active: 2008-2024
Publications (10 Years): 3

Top Topics

Weakly Supervised

Molecular Dynamics

Top Venues

J. Chem. Inf. Model.

Briefings Bioinform.

Publications

Qiaosi Tang, Ranjala Ratnayake, Gustavo de M. Seabra, Zhe Jiang, Ruogu Fang, Lina Cui, Yousong Ding, Tamer Kahveci, Jiang Bian, Chenglong Li, Hendrik Luesch, Yanjun Li
Morphological profiling for drug discovery in the era of deep learning. Briefings Bioinform. 25 (4) (2024)
Qiaosi Tang, Ranjala Ratnayake, Gustavo de M. Seabra, Zhe Jiang, Ruogu Fang, Lina Cui, Yousong Ding, Tamer Kahveci, Jiang Bian, Chenglong Li, Hendrik Luesch, Yanjun Li
Morphological Profiling for Drug Discovery in the Era of Deep Learning. CoRR (2023)
Timothy B. Dunn, Gustavo de M. Seabra, Taewon David Kim, K. Eurídice Juárez-Mercado, Chenglong Li, José L. Medina-Franco, Ramón Alain Miranda-Quintana
Diversity and Chemical Library Networks of Large Data Sets. J. Chem. Inf. Model. 62 (9) (2022)
Carlos H. B. da Cruz, Gustavo de M. Seabra
QM/MM Simulations of Amyloid-β 42 Degradation by IDE in the Presence and Absence of ATP. J. Chem. Inf. Model. 55 (1) (2015)
Carlos H. B. da Cruz, Gustavo de M. Seabra
Molecular Dynamics Simulations Reveal a Novel Mechanism for ATP Inhibition of Insulin Degrading Enzyme. J. Chem. Inf. Model. 54 (5) (2014)
Benjamin P. Roberts, Gustavo de M. Seabra, Adrian E. Roitberg, Kenneth M. Merz Jr., Erik Deumens, Juan Torras, Samuel B. Trickey
QM/MM-MD simulation". J. Comput. Chem. 33 (19) (2012)
Juan Torras, Gustavo de M. Seabra, Erik Deumens, Samuel B. Trickey, Adrian E. Roitberg
A versatile AMBER-Gaussian QM/MM interface through PUPIL. J. Comput. Chem. 29 (10) (2008)