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List of works by Jorge Vila

13Check_RNA: a tool to evaluate 13C chemical shift assignments of RNA

scientific article published on 01 December 2018

About the Protein Space Vastness

scientific article published on 01 November 2020

Adsorption and insertion of polyarginine peptides into membrane pores: The trade-off between electrostatics, acid-base chemistry and pore formation energy

scientific article published on 30 May 2019

Analysis of 13Calpha and 13Cbeta chemical shifts of cysteine and cystine residues in proteins: a quantum chemical approach.

scientific article

Assessing the One-Bond Cα-H Spin-Spin Coupling Constants in Proteins: Pros and Cons of Different Approaches

scientific article published on 23 January 2020

Assessing the fractions of tautomeric forms of the imidazole ring of histidine in proteins as a function of pH ⬇️

scientific article published on March 21, 2011

Azahar: a PyMOL plugin for construction, visualization and analysis of glycan molecules

scientific article

Classification of RNA backbone conformations into rotamers using 13C' chemical shifts: exploring how far we can go

scientific article published on 21 October 2019

Conformation of a single polyelectrolyte chain in the Coulombic unscreened limit

scientific article published on 01 May 1994

Coupled molecular dynamics and continuum electrostatic method to compute the ionization pKa's of proteins as a function of pH. Test on a large set of proteins

scientific article published on 24 February 2017

Coupling between folding and ionization equilibria: effects of pH on the conformational preferences of polypeptides.

scientific article published in December 1996

Detection of methylation, acetylation and glycosylation of protein residues by monitoring (13)C chemical-shift changes: A quantum-chemical study

scientific article

Effects of side-chain orientation on the 13C chemical shifts of antiparallel beta-sheet model peptides

scientific article published on 19 December 2006

Electrostatic unfolding and interactions of albumin driven by pH changes: a molecular dynamics study.

scientific article published on 15 January 2014

Factors affecting the computation of the 13C shielding in disaccharides

scientific article

Finite Dimension: A Mathematical Tool to Analise Glycans.

scientific article published on 13 March 2018

Further evidence for the absence of polyproline II stretch in the XAO peptide.

scientific article

Harold A. Scheraga Legatum

scientific article published on 28 September 2020

Limiting Values of the 15N Chemical Shift of the Imidazole Ring of Histidine at High pH ⬇️

scientific article published on February 29, 2012

Limiting Values of the one-bond C-H Spin-Spin Coupling Constants of the Imidazole Ring of Histidine at High-pH.

scientific article published on 8 January 2017

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

scientific article

Polyproline II conformation is one of many local conformational states and is not an overall conformation of unfolded peptides and proteins.

scholarly 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

Sequential nearest-neighbor effects on computed 13Calpha chemical shifts

scientific article

The Marginal Stability of Proteins: How the Jiggling and Wiggling of Atoms is Connected to Neutral Evolution

scientific article published on 04 April 2020

The intrinsic helix-forming tendency of L-alanine

scientific article published on August 1992

The protein folding problem: global optimization of the force fields.

scientific article

Theoretical approach for alpha-helix leads to random coil denaturation

scientific article published on 01 September 1982

Thermodynamics of cell penetrating peptides on lipid membranes: sequence and membrane acidity regulate surface binding

scientific article published on 13 October 2020

Topology of Type II REases revisited; structural classes and the common conserved core

scientific article

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

scientific article published on 01 November 2002

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