Filipe Menezes

Local complete active space second-order perturbation theory using pair natural orbitals (PNO-CASPT2)

Filipe Menezes, Daniel Kats, Hans‐Joachim Werner · The Journal of Chemical Physics · 2016 · 104 citations

Engineering, Computational Chemistry, Atomic Orbitals +16

MISATO: machine learning dataset of protein–ligand complexes for structure-based drug discovery

Till Siebenmorgen, Filipe Menezes, Sabrina Benassou et al. · Nature Computational Science · 2024 · 48 citations · Full text

Engineering, Machine Learning, Hit Identification +23

Silmitasertib (CX-4945), a Clinically Used CK2-Kinase Inhibitor with Additional Effects on GSK3β and DYRK1A Kinases: A Structural Perspective

Przemysław Grygier, Katarzyna Pustelny, Jakub Nowak et al. · Journal of Medicinal Chemistry · 2023 · 47 citations · Full text

Molecular Biology, Dyrk1a Kinases, Systems Pharmacology +22

Methods for the analysis of complex fluorescence decays: sum of Becquerel functions versus sum of exponentials

Filipe Menezes, Alexander Fedorov, Carlos Baleizão et al. · Methods and Applications in Fluorescence · 2013 · 39 citations

Engineering, Phosphorescence Imaging, Analytical Chemistry +16

Isocyanide Complexes with Platinum and Palladium and Their Reactivity toward Cycloadditions with Nitrones to Form Aminooxycarbenes: A Theoretical Study

Filipe Menezes, Maxim L. Kuznetsov, Armando J. L. Pombeiro · Organometallics · 2009 · 28 citations

Inorganic Chemistry, Chemical Engineering, Theoretical Study +14