List of works - Héctor A. Baldoni

A substituted sulfonamide and its Co (II), Cu (II), and Zn (II) complexes as potential antifungal agents.

scientific article published on 27 May 2016

An exhaustive conformational analysis of N-acetyl-L-cysteine-N-methylamide. Identification of the complete set of interconversion pathways on the ab initio and DFT potential energy hypersurface

scientific article published on 01 February 2005

Fast and accurate computation of the 13C chemical shifts for an alanine-rich peptide

scientific article

Looking for the interactions between omeprazole and amoxicillin in a disordered phase. An experimental and theoretical study.

scientific article published on 22 November 2015

Luminescent Lanthanide Metal Organic Frameworks as Chemosensing Platforms towards Agrochemicals and Cations

article

Molecular design and synthesis of novel peptides from amphibians skin acting as inhibitors of cholinesterase enzymes.

scientific article

Molecular modeling study of dihydrofolate reductase inhibitors. Molecular dynamics simulations, quantum mechanical calculations, and experimental corroboration

scientific article published on 24 July 2013

New antitumoral acetogenin 'Guanacone type' derivatives: isolation and bioactivity. Molecular dynamics simulation of diacetyl-guanacone

scientific article published on 25 April 2007

New small-size peptides modulators of the exosite of BACE1 obtained from a structure-based design

scientific article published on 26 January 2016

Performance of density functional models to reproduce observed (13)C(alpha) chemical shifts of proteins in solution

scientific article

Position dependence of the 13C chemical shifts of alpha-helical model peptides. Fingerprint of the 20 naturally occurring amino acids.

scientific article published on November 2004

Predicting 13Calpha chemical shifts for validation of protein structures

scientific article published on 9 June 2007

Structural and functional insights into the anti-BACE1 Fab fragment that recognizes the BACE1 exosite

scientific article published on 24 July 2013

Structural and thermodynamic characteristics of the exosite binding pocket on the human BACE1: a molecular modeling approach

scientific article published on September 2010

Structure-antifeedant activity relationship of clerodane diterpenoids. Comparative study with withanolides and azadirachtin

scientific article published in April 2000

Unblocked statistical-coil tetrapeptides and pentapeptides in aqueous solution: a theoretical study

scientific article published on 01 November 2002

Unblocked statistical-coil tetrapeptides in aqueous solution: quantum-chemical computation of the carbon-13 NMR chemical shifts

scientific article published in June 2003

List of works by Héctor A. Baldoni

A substituted sulfonamide and its Co (II), Cu (II), and Zn (II) complexes as potential antifungal agents.

An exhaustive conformational analysis of N-acetyl-L-cysteine-N-methylamide. Identification of the complete set of interconversion pathways on the ab initio and DFT potential energy hypersurface

Fast and accurate computation of the 13C chemical shifts for an alanine-rich peptide

Looking for the interactions between omeprazole and amoxicillin in a disordered phase. An experimental and theoretical study.

Luminescent Lanthanide Metal Organic Frameworks as Chemosensing Platforms towards Agrochemicals and Cations

Molecular design and synthesis of novel peptides from amphibians skin acting as inhibitors of cholinesterase enzymes.

Molecular modeling study of dihydrofolate reductase inhibitors. Molecular dynamics simulations, quantum mechanical calculations, and experimental corroboration

New antitumoral acetogenin 'Guanacone type' derivatives: isolation and bioactivity. Molecular dynamics simulation of diacetyl-guanacone

New small-size peptides modulators of the exosite of BACE1 obtained from a structure-based design

Performance of density functional models to reproduce observed (13)C(alpha) chemical shifts of proteins in solution

Position dependence of the 13C chemical shifts of alpha-helical model peptides. Fingerprint of the 20 naturally occurring amino acids.

Predicting 13Calpha chemical shifts for validation of protein structures

Structural and functional insights into the anti-BACE1 Fab fragment that recognizes the BACE1 exosite

Structural and thermodynamic characteristics of the exosite binding pocket on the human BACE1: a molecular modeling approach

Structure-antifeedant activity relationship of clerodane diterpenoids. Comparative study with withanolides and azadirachtin

Unblocked statistical-coil tetrapeptides and pentapeptides in aqueous solution: a theoretical study

Unblocked statistical-coil tetrapeptides in aqueous solution: quantum-chemical computation of the carbon-13 NMR chemical shifts