List of works - Stefano Pieraccini

4-(1,2-diarylbut-1-en-1-yl)isobutyranilide derivatives as inhibitors of topoisomerase II.

scientific article

A Simple Mechanism Underlying the Effect of Protecting Osmolytes on Protein Folding.

scientific article published on 6 October 2011

A molecular dynamics study of an endostatin-derived peptide with antiangiogenic activity and of its mutants

A molecular dynamics study of human endostatin and its synthetic fragments with antiangiogenic properties

scientific article published on 25 May 2006

A novel extremely localized molecular orbitals based technique for the one-electron density matrix computation

Atomic level description of the protecting effect of osmolytes against thermal denaturation of proteins

Boehmeriasin A as new lead compound for the inhibition of topoisomerases and SIRT2.

scientific article published on 20 January 2015

Camptothecin-7-yl-methanthiole: semisynthesis and biological evaluation

scientific article

Computer aided design of FtsZ targeting oligopeptides

article

DENPOL: A new program to determine electron densities of polypeptides using extremely localized molecular orbitals

Electrophysiological and metabolic effects of CHF5074 in the hippocampus: Protection against in vitro ischemia

scientific article published on 12 March 2014

Extremely localized molecular orbitals: theory and applications

Halogen bonding in ligand-receptor systems in the framework of classical force fields

scientific article published on 30 September 2011

Halogen bonds with benzene: an assessment of DFT functionals.

scientific article published on 13 December 2013

Halogen-Bonding Interactions with π Systems: CCSD(T), MP2, and DFT Calculations

scientific article published on 21 November 2012

In silico design of tubulin-targeted antimitotic peptides

scientific article published on 23 October 2009

In silico study of VP35 inhibitors: from computational alanine scanning to essential dynamics

scientific article

Metadynamics Study of a β-Hairpin Stability in Mixed Solvents

scientific article published in 2011

Modeling enzymatic processes: A molecular simulation analysis of the origins of regioselectivity

Modelling the effect of osmolytes on peptide mechanical unfolding

Molecular Similarity Perception Based on Machine-Learning Models

scientific article published in 2022

Molecular insights into the stabilization of protein–protein interactions with small molecule: The FKBP12–rapamycin–FRB case study

article published in 2013

Molecular modeling of the inhibition of protein–protein interactions with small molecules: The IL2–IL2Rα case

Quinazolinecarboline alkaloid evodiamine as scaffold for targeting topoisomerase I and sirtuins

scientific article published on 19 September 2013

Solvent effect on halogen bonding: the case of the I⋯O interaction

scientific article published on 8 August 2012

Studies on umami taste. Synthesis of new guanosine 5'-phosphate derivatives and their synergistic effect with monosodium glutamate

scientific article published on 9 January 2008

Synthesis of Pironetin-Dumetorine Hybrids as Tubulin Binders

article published in 2016

Synthesis, crystal structure and biological activity of 2-hydroxyethylammonium salt of p-aminobenzoic acid

scientific article

The molecular dynamics of assembly of the ubiquitous aortic medial amyloidal medin fragment

article

Vinblastine perturbation of tubulin protofilament structure: a computational insight.

scientific article published on 26 October 2010

α-Synuclein is a Novel Microtubule Dynamase.

scientific article

List of works by Stefano Pieraccini

4-(1,2-diarylbut-1-en-1-yl)isobutyranilide derivatives as inhibitors of topoisomerase II.

A Simple Mechanism Underlying the Effect of Protecting Osmolytes on Protein Folding.

A molecular dynamics study of an endostatin-derived peptide with antiangiogenic activity and of its mutants

A molecular dynamics study of human endostatin and its synthetic fragments with antiangiogenic properties

A novel extremely localized molecular orbitals based technique for the one-electron density matrix computation

Atomic level description of the protecting effect of osmolytes against thermal denaturation of proteins

Boehmeriasin A as new lead compound for the inhibition of topoisomerases and SIRT2.

Camptothecin-7-yl-methanthiole: semisynthesis and biological evaluation

Computer aided design of FtsZ targeting oligopeptides

DENPOL: A new program to determine electron densities of polypeptides using extremely localized molecular orbitals

Electrophysiological and metabolic effects of CHF5074 in the hippocampus: Protection against in vitro ischemia

Extremely localized molecular orbitals: theory and applications

Halogen bonding in ligand-receptor systems in the framework of classical force fields

Halogen bonds with benzene: an assessment of DFT functionals.

Halogen-Bonding Interactions with π Systems: CCSD(T), MP2, and DFT Calculations

In silico design of tubulin-targeted antimitotic peptides

In silico study of VP35 inhibitors: from computational alanine scanning to essential dynamics

Metadynamics Study of a β-Hairpin Stability in Mixed Solvents

Modeling enzymatic processes: A molecular simulation analysis of the origins of regioselectivity

Modelling the effect of osmolytes on peptide mechanical unfolding

Molecular Similarity Perception Based on Machine-Learning Models

Molecular insights into the stabilization of protein–protein interactions with small molecule: The FKBP12–rapamycin–FRB case study

Molecular modeling of the inhibition of protein–protein interactions with small molecules: The IL2–IL2Rα case

Quinazolinecarboline alkaloid evodiamine as scaffold for targeting topoisomerase I and sirtuins

Solvent effect on halogen bonding: the case of the I⋯O interaction

Studies on umami taste. Synthesis of new guanosine 5'-phosphate derivatives and their synergistic effect with monosodium glutamate

Synthesis of Pironetin-Dumetorine Hybrids as Tubulin Binders

Synthesis, crystal structure and biological activity of 2-hydroxyethylammonium salt of p-aminobenzoic acid

The molecular dynamics of assembly of the ubiquitous aortic medial amyloidal medin fragment

Vinblastine perturbation of tubulin protofilament structure: a computational insight.

α-Synuclein is a Novel Microtubule Dynamase.