Gustavo Perez Lemus

Citation name

Perez Lemus, G.

Affiliation

University of Chicago

State

IL

Country

USA

Authored

(192h) Toward Wide-Spectrum Antivirals Against Coronaviruses: Modeling the Binding Mechanisms of Repurposed Drugs to the Sars-Cov-2 RNA-Dependent RNA Polymerase

Cintia Menéndez

Gustavo Perez Lemus

Walter Alvarado

2022 Annual Meeting (ISBN: 978-0-8169-1118-9)

(197y) Pysages: Enhanced Sampling for Ab Initio Dynamics and Machine Learning Potentials

Gustavo Perez Lemus

Juan J. de Pablo

2023 AIChE Annual Meeting (ISBN: 978-0-8169-1120-2)

(451k) Evaluating Robustness of Machine Learned Force Fields with Enhanced Sampling Methods

Gustavo Perez Lemus

Juan J. de Pablo

2023 AIChE Annual Meeting (ISBN: 978-0-8169-1120-2)

(566i) Pysages: Funnel Restraints for Ligand-Receptor Enhanced Sampling Calculations

Gustavo Perez Lemus

Cintia Menéndez

Juan J. de Pablo

2023 AIChE Annual Meeting (ISBN: 978-0-8169-1120-2)

(566b) Pysages: Flexible, Efficient, GPU-Accelerated Sampling Methods

Ludwig Schneider

Gustavo Perez Lemus

Juan J. de Pablo

2023 AIChE Annual Meeting (ISBN: 978-0-8169-1120-2)

Associated proceedings

2022 Annual Meeting

2023 AIChE Annual Meeting