Gustavo de M. Seabra

According to our database, Gustavo de M. Seabra authored at least 6 papers between 2008 and 2023.

Collaborative distances:

• Dijkstra number of five.
• Erdős number of four.

2023

Morphological Profiling for Drug Discovery in the Era of Deep Learning.

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

CoRR, 2023

2022

Diversity and Chemical Library Networks of Large Data Sets.

Timothy B. Dunn, Gustavo de M. Seabra, Taewon David Kim, K. Eurídice Juárez-Mercado, Chenglong Li, José L. Medina-Franco, Ramón Alain Miranda-Quintana

J. Chem. Inf. Model., 2022

2015

QM/MM Simulations of Amyloid-β 42 Degradation by IDE in the Presence and Absence of ATP.

Carlos H. B. da Cruz, Gustavo de M. Seabra

J. Chem. Inf. Model., 2015

2014

Molecular Dynamics Simulations Reveal a Novel Mechanism for ATP Inhibition of Insulin Degrading Enzyme.

Carlos H. B. da Cruz, Gustavo de M. Seabra

J. Chem. Inf. Model., 2014

2012

Comment on "a minimal implementation of the AMBER-GAUSSIAN interface for <i>Ab Initio</i> QM/MM-MD simulation".

Benjamin P. Roberts, Gustavo de M. Seabra, Adrian E. Roitberg, Kenneth M. Merz Jr., Erik Deumens, Juan Torras, Samuel B. Trickey

J. Comput. Chem., 2012

2008

A versatile AMBER-Gaussian QM/MM interface through PUPIL.

Juan Torras, Gustavo de M. Seabra, Erik Deumens, Samuel B. Trickey, Adrian E. Roitberg

J. Comput. Chem., 2008