Domenico Alberga

Via Amendola 122/O
Bari, 70126, Italy

Last Updated: 09/26/2026

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Found 43 publications

MD Simulations of Human Sigma-1 Receptor Trimer Uncover Cholesterol-Dependent Stabilization and Ligand-Specific Dynamics.

MD Simulations of Human Sigma-1 Receptor Trimer Uncover Cholesterol-Dependent Stabilization and Ligand-Specific Dynamics.

Journal: Journal of chemical information and modeling

Published: June 01, 2026

A Reinforcement Learning-Guided Genetic Algorithm Integrating Medicinal Chemistry-Inspired Molecular Transformations.

A Reinforcement Learning-Guided Genetic Algorithm Integrating Medicinal Chemistry-Inspired Molecular Transformations.

Journal: Journal of chemical information and modeling

Published: April 16, 2026

Shannon sampling based approach for the structural solution of nano-objects by laboratory and synchrotron SAXS data.

Shannon sampling based approach for the structural solution of nano-objects by laboratory and synchrotron SAXS data.

Journal: Journal of applied crystallography

Published: February 19, 2026

Conformational Restriction of Designer Drugs Reveals Subtype-Selective and Biased CB2 Agonists with Neuroprotective Effects.

Conformational Restriction of Designer Drugs Reveals Subtype-Selective and Biased CB2 Agonists with Neuroprotective Effects.

Journal: Journal of medicinal chemistry

Published: August 12, 2025

Shedding light on the HSAB-guided sulfur-selenium antagonism in mercury coordination and reactivity toward biologically relevant systems: a DFT and MD study.

Shedding light on the HSAB-guided sulfur-selenium antagonism in mercury coordination and reactivity toward biologically relevant systems: a DFT and MD study.

Journal: Physical chemistry chemical physics : PCCP

Published: July 23, 2025

β-Cyclodextrin Inclusion Complexes with Model Pentapeptides: Role of the Tyrosine Position within the Peptide Chain.

β-Cyclodextrin Inclusion Complexes with Model Pentapeptides: Role of the Tyrosine Position within the Peptide Chain.

Journal: ChemistryOpen

Published: May 08, 2025

Transformer Decoder Learns from a Pretrained Protein Language Model to Generate Ligands with High Affinity.

Transformer Decoder Learns from a Pretrained Protein Language Model to Generate Ligands with High Affinity.

Journal: Journal of chemical information and modeling

Published: January 28, 2025

SIGMAP: an explainable artificial intelligence tool for SIGMA-1 receptor affinity prediction.

SIGMAP: an explainable artificial intelligence tool for SIGMA-1 receptor affinity prediction.

Journal: RSC medicinal chemistry

Published: September 13, 2024

Molecular interactions between a diphenyl scaffold and PED/PEA15: Implications for type II diabetes therapeutics targeting PED/PEA15 - Phospholipase D1 interaction.

Molecular interactions between a diphenyl scaffold and PED/PEA15: Implications for type II diabetes therapeutics targeting PED/PEA15 - Phospholipase D1 interaction.

Journal: Computational and structural biotechnology journal

Published: March 04, 2024

DeLA-DrugSelf: Empowering multi-objective de novo design through SELFIES molecular representation.

DeLA-DrugSelf: Empowering multi-objective de novo design through SELFIES molecular representation.

Journal: Computers in biology and medicine

Published: February 03, 2024

AMALPHI: A Machine Learning Platform for Predicting Drug-Induced PhospholIpidosis.

AMALPHI: A Machine Learning Platform for Predicting Drug-Induced PhospholIpidosis.

Journal: Molecular pharmaceutics

Published: December 22, 2023

ALPACA: A machine Learning Platform for Affinity and selectivity profiling of CAnnabinoids receptors modulators.

ALPACA: A machine Learning Platform for Affinity and selectivity profiling of CAnnabinoids receptors modulators.

Journal: Computers in biology and medicine

Published: June 13, 2023

Showing 1-12 of 43

Last Updated: 09/26/2026