Filipe Menezes

Publication Activity (10 Years)

Years Active: 2022-2024
Publications (10 Years): 14

Top Topics

Molecular Dynamics Simulations

Polycyclic Aromatic Hydrocarbons

Energy Transfer

Top Venues

Nature computational science

Molecules (Basel, Switzerland)

Journal of medicinal chemistry

Physical chemistry chemical physics : PCCP

This page only lists publications with an associated author ORCID identifier.

Publications

Alexandre S Miranda, Paula M Marcos, José R Ascenso, Mario N Berberan-Santos, Filipe Menezes
Correction: Miranda et al. Anion Binding by Fluorescent Ureido-Hexahomotrioxacalix[3]arene Receptors: An NMR, Absorption and Emission Spectroscopic Study. Molecules 2022, 27 , 3247. Molecules (Basel, Switzerland) 29 (8) (2024)
Till Siebenmorgen, Filipe Menezes, Sabrina Benassou, Erinc Merdivan, Kieran Didi, André Santos Dias Mourão, Radosław Kitel, Pietro Liò, Stefan Kesselheim, Marie Piraud, Fabian Joachim Theis, Michael Sattler, Grzegorz Maria Popowicz
MISATO: machine learning dataset of protein-ligand complexes for structure-based drug discovery. Nature computational science 4 (5) (2024)
Till Siebenmorgen, Filipe Menezes, Sabrina Benassou, Erinc Merdivan, Kieran Didi, André Santos Dias Mourão, Radosław Kitel, Pietro Liò, Stefan Kesselheim, Marie Piraud, Fabian Joachim Theis, Michael Sattler, Grzegorz Maria Popowicz
MISATO: machine learning dataset of protein-ligand complexes for structure-based drug discovery. Nature computational science 4 (5) (2024)
Alexandre S Miranda, Paula M Marcos, José R Ascenso, Mario N Berberan-Santos, Filipe Menezes
Correction: Miranda et al. Anion Binding by Fluorescent Ureido-Hexahomotrioxacalix[3]arene Receptors: An NMR, Absorption and Emission Spectroscopic Study. Molecules 2022, 27 , 3247. Molecules (Basel, Switzerland) 29 (8) (2024)
Till Siebenmorgen, Filipe Menezes, Sabrina Benassou, Erinc Merdivan, Kieran Didi, André Santos Dias Mourão, Radosław Kitel, Pietro Liò, Stefan Kesselheim, Marie Piraud, Fabian Joachim Theis, Michael Sattler, Grzegorz Maria Popowicz
MISATO: machine learning dataset of protein-ligand complexes for structure-based drug discovery. Nature computational science (2024)
Till Siebenmorgen, Filipe Menezes, Sabrina Benassou, Erinc Merdivan, Kieran Didi, André Santos Dias Mourão, Radosław Kitel, Pietro Liò, Stefan Kesselheim, Marie Piraud, Fabian Joachim Theis, Michael Sattler, Grzegorz Maria Popowicz
MISATO: machine learning dataset of protein-ligand complexes for structure-based drug discovery. Nature computational science 4 (5) (2024)
Filipe Menezes, Grzegorz Maria Popowicz
When catchers meet - a computational study on the dimerization of the Buckycatcher. Physical chemistry chemical physics : PCCP (2023)
Przemyslaw Grygier, Katarzyna Pustelny, Jakub Nowak, Przemyslaw Golik, Grzegorz M Popowicz, Oliver Plettenburg, Grzegorz Dubin, Filipe Menezes, Anna Czarna
Silmitasertib (CX-4945), a Clinically Used CK2-Kinase Inhibitor with Additional Effects on GSK3β and DYRK1A Kinases: A Structural Perspective. Journal of medicinal chemistry 66 (6) (2023)
Przemyslaw Grygier, Katarzyna Pustelny, Jakub Nowak, Przemyslaw Golik, Grzegorz M Popowicz, Oliver Plettenburg, Grzegorz Dubin, Filipe Menezes, Anna Czarna
Silmitasertib (CX-4945), a Clinically Used CK2-Kinase Inhibitor with Additional Effects on GSK3β and DYRK1A Kinases: A Structural Perspective. Journal of medicinal chemistry (2023)
Przemyslaw Grygier, Katarzyna Pustelny, Jakub Nowak, Przemyslaw Golik, Grzegorz M Popowicz, Oliver Plettenburg, Grzegorz Dubin, Filipe Menezes, Anna Czarna
Silmitasertib (CX-4945), a Clinically Used CK2-Kinase Inhibitor with Additional Effects on GSK3β and DYRK1A Kinases: A Structural Perspective. Journal of medicinal chemistry 66 (6) (2023)
Alexandre S Miranda, Paula M Marcos, José R Ascenso, Mario N Berberan-Santos, Filipe Menezes
Anion Binding by Fluorescent Ureido-Hexahomotrioxacalix[3]arene Receptors: An NMR, Absorption and Emission Spectroscopic Study. Molecules (Basel, Switzerland) 27 (10) (2022)
Filipe Menezes, Grzegorz Maria Popowicz
How to Catch the Ball: Fullerene Binding to the Corannulene Pincer. Molecules (Basel, Switzerland) 27 (12) (2022)
Filipe Menezes, Grzegorz M Popowicz
ULYSSES : An Efficient and Easy to Use Semiempirical Library for C+. Journal of chemical information and modeling 62 (16) (2022)
Filipe Menezes, Grzegorz Maria Popowicz
Acid Rain and Flue Gas: Quantum Chemical Hydrolysis of NO<sub>2</sub>. Chemphyschem : a European journal of chemical physics and physical chemistry 23 (21) (2022)