Leonardo De Maria

According to our database, Leonardo De Maria authored at least 11 papers between 2019 and 2026.

Collaborative distances:

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

2026

Confidence is the key: how conformal prediction enhances the generative design of permeable peptides.

Laura van Weesep, Sunay Chankeshwara, Leonardo De Maria, Florian David, Ola Engkvist, Gökçe Geylan

CoRR, May, 2026

ZeroFold: Protein-RNA Binding Affinity Predictions from Pre-Structural Embeddings.

Josef Hanke, Sebastian Pujalte Ojeda, Shengyu Zhang, Werngard Czechtizky, Leonardo De Maria, Michele Vendruscolo

CoRR, March, 2026

Exploring Secondary Structure Predictions for RNA-Targeted Drug Discovery: Power and Challenges.

Zhengyue Zhang, Gaia Dolcetti, Christian Tyrchan, Leonardo De Maria, Giovanni Bussi, Werngard Czechtizky

J. Chem. Inf. Model., 2026

2025

A decoupled alignment kernel for peptide membrane permeability predictions.

Ali Amirahmadi, Gökçe Geylan, Leonardo De Maria, Farzaneh Etminani, Mattias Ohlsson, Alessandro Tibo

CoRR, November, 2025

2024

Mask prior-guided denoising diffusion improves inverse protein folding.

Peizhen Bai, Filip Miljkovic, Xianyuan Liu, Leonardo De Maria, Rebecca Croasdale-Wood, Owen J. L. Rackham, Haiping Lu

CoRR, 2024

PepINVENT: Generative peptide design beyond the natural amino acids.

Gökçe Geylan, Jon Paul Janet, Alessandro Tibo, Jiazhen He, Atanas Patronov, Mikhail Kabeshov, Florian David, Werngard Czechtizky, Ola Engkvist, Leonardo De Maria

CoRR, 2024

2022

Impact of PROTAC Linker Plasticity on the Solution Conformations and Dissociation of the Ternary Complex.

Dhanushka Weerakoon, Rodrigo J. Carbajo, Leonardo De Maria, Christian Tyrchan, Hongtao Zhao

J. Chem. Inf. Model., 2022

Virtual Screening Expands the Non-Natural Amino Acid Palette for Peptide Optimization.

Kosala Amarasinghe, Leonardo De Maria, Christian Tyrchan, Leif A. Eriksson, Jens Sadowski, Dusan Petrovic

J. Chem. Inf. Model., 2022

2021

General Protocol for Constructing Molecular Models of Nanodiscs.

Lisbeth Ravnkilde Kjølbye, Leonardo De Maria, Tsjerk A. Wassenaar, Haleh Abdizadeh, Siewert J. Marrink, Jesper Ferkinghoff-Borg, Birgit Schiøtt

J. Chem. Inf. Model., 2021

Membrane Permeability in Cyclic Peptides is Modulated by Core Conformations.

Flaviu S. Cipcigan, Paul Smith, Jason Crain, Anders Hogner, Leonardo De Maria, Antonio Llinàs, Ekaterina Ratkova

J. Chem. Inf. Model., 2021

2019

Molecular Modeling Investigation of the Interaction between Humicola insolens Cutinase and SDS Surfactant Suggests a Mechanism for Enzyme Inactivation.

Lisbeth Ravnkilde Kjølbye, Anne Laustsen, Mikkel Vestergaard, Xavier Periole, Leonardo De Maria, Allan Svendsen, Andrea Coletta, Birgit Schiøtt

J. Chem. Inf. Model., 2019