Lista de obras - Alessandra Villa - Dominio Público Uruguay

Advanced approaches for the characterization of a de novo designed antiparallel coiled coil peptide

artículo científico publicado en 2005

Axons Embedded in a Tissue CAN Withstand Larger Deformations Than Isolated Axons Before Mechanoporation Occurs

artículo científico publicado en 2019

Calculation of the free energy of solvation for neutral analogs of amino acid side chains

artículo científico publicado en 2002

Computational Study of Uracil Tautomeric Forms in the Ribosome: The Case of Uracil and 5-Oxyacetic Acid Uracil in the First Anticodon Position of tRNA.

artículo científico publicado en 2017

Conformational behaviour determines the low-relaxivity state of a conditional MRI contrast agent

artículo científico publicado en 2009

Conformational characterization of lanthanide(III)-DOTA complexes by ab initio investigation in vacuo and in aqueous solution.

artículo científico publicado en 2002

Driving forces for adsorption of amphiphilic peptides to the air-water interface

artículo científico publicado en 2010

Dynamics and Structure of Ln(III)−Aqua Ions: A Comparative Molecular Dynamics Study Using ab Initio Based Flexible and Polarizable Model Potentials

artículo científico publicado en 2009

Effect of mutations on internal dynamics of an RNA hairpin from hepatitis B virus.

artículo científico publicado en 2016

Elucidating the Relation between Internal Motions and Dihedral Angles in an RNA Hairpin Using Molecular Dynamics

artículo científico publicado en 2014

How Sensitive Are Nanosecond Molecular Dynamics Simulations of Proteins to Changes in the Force Field?

artículo científico publicado en 2007

Inclusion of ionization states of ligands in affinity calculations

artículo científico publicado en 2009

Incorporating the effect of ionic strength in free energy calculations using explicit ions

artículo científico publicado en 2005

LNA effects on DNA binding and conformation: from single strand to duplex and triplex structures

artículo científico publicado en 2017

Loop-loop interaction in an adenine-sensing riboswitch: a molecular dynamics study

artículo científico

Magnesium Ion-Water Coordination and Exchange in Biomolecular Simulations

artículo científico publicado en 2012

Modeling and Simulation of Oligonucleotide Hybrids: Outlining a Strategy

artículo científico publicado en 2019

Modeling pK Shift in DNA Triplexes Containing Locked Nucleic Acids

scientific article published on 23 March 2018

Molecular Dynamics Simulation of the Structure, Dynamics, and Thermostability of the RNA Hairpins uCACGg and cUUCGg

artículo científico publicado en 2008

Molecular basis of egg coat cross-linking sheds light on ZP1-associated female infertility

scientific article published on 12 July 2019

NMR and MD studies of the temperature-dependent dynamics of RNA YNMG-tetraloops.

artículo científico publicado en 2008

On the characterization of host-guest complexes: surface tension, calorimetry, and molecular dynamics of cyclodextrins with a non-ionic surfactant.

artículo científico publicado en 2007

Role of Pseudoisocytidine Tautomerization in Triplex-Forming Oligonucleotides: In Silico and in Vitro Studies.

artículo científico publicado en 2017

Role of lipid composition on the structural and mechanical features of axonal membranes: a molecular simulation study.

artículo científico publicado en 2019

Sampling and convergence in free energy calculations of protein-ligand interactions: the binding of triphenoxypyridine derivatives to factor Xa and trypsin

artículo científico publicado en 2003

Self-assembling dipeptides: conformational sampling in solvent-free coarse-grained simulation.

artículo científico publicado en 2009

Self-assembling dipeptides: including solvent degrees of freedom in a coarse-grained model

artículo científico publicado en 2009

Sequence dependency of canonical base pair opening in the DNA double helix.

artículo científico publicado en 2017

Spontaneous β-helical fold in prion protein: The case of PrP(82-146)

artículo científico publicado en 2009

Structural Basis of Egg Coat-Sperm Recognition at Fertilization.

artículo científico publicado en 2017

Structural basis for the enantioselectivity of an epoxide ring opening reaction catalyzed by halo alcohol dehalogenase HheC.

artículo científico publicado en 2005

The ability of locked nucleic acid oligonucleotides to pre-structure the double helix: A molecular simulation and binding study

artículo científico publicado en 2019

The free energy of locking a ring: Changing a deoxyribonucleoside to a locked nucleic acid

artículo científico publicado en 2017

Transferability of Nonbonded Interaction Potentials for Coarse-Grained Simulations: Benzene in Water

artículo científico publicado en 2010

Triple helical DNA in a duplex context and base pair opening

artículo científico publicado en 2014

Understanding binding affinity: a combined isothermal titration calorimetry/molecular dynamics study of the binding of a series of hydrophobically modified benzamidinium chloride inhibitors to trypsin

artículo científico publicado en 2003

What NMR Relaxation Can Tell Us about the Internal Motion of an RNA Hairpin: A Molecular Dynamics Simulation Study

artículo científico publicado en 2006

Lista de obras de Alessandra Villa

Advanced approaches for the characterization of a de novo designed antiparallel coiled coil peptide

Axons Embedded in a Tissue CAN Withstand Larger Deformations Than Isolated Axons Before Mechanoporation Occurs

Calculation of the free energy of solvation for neutral analogs of amino acid side chains

Computational Study of Uracil Tautomeric Forms in the Ribosome: The Case of Uracil and 5-Oxyacetic Acid Uracil in the First Anticodon Position of tRNA.

Conformational behaviour determines the low-relaxivity state of a conditional MRI contrast agent

Conformational characterization of lanthanide(III)-DOTA complexes by ab initio investigation in vacuo and in aqueous solution.

Driving forces for adsorption of amphiphilic peptides to the air-water interface

Dynamics and Structure of Ln(III)−Aqua Ions: A Comparative Molecular Dynamics Study Using ab Initio Based Flexible and Polarizable Model Potentials

Effect of mutations on internal dynamics of an RNA hairpin from hepatitis B virus.

Elucidating the Relation between Internal Motions and Dihedral Angles in an RNA Hairpin Using Molecular Dynamics

How Sensitive Are Nanosecond Molecular Dynamics Simulations of Proteins to Changes in the Force Field?

Inclusion of ionization states of ligands in affinity calculations

Incorporating the effect of ionic strength in free energy calculations using explicit ions

LNA effects on DNA binding and conformation: from single strand to duplex and triplex structures

Loop-loop interaction in an adenine-sensing riboswitch: a molecular dynamics study

Magnesium Ion-Water Coordination and Exchange in Biomolecular Simulations

Modeling and Simulation of Oligonucleotide Hybrids: Outlining a Strategy

Modeling pK Shift in DNA Triplexes Containing Locked Nucleic Acids

Molecular Dynamics Simulation of the Structure, Dynamics, and Thermostability of the RNA Hairpins uCACGg and cUUCGg

Molecular basis of egg coat cross-linking sheds light on ZP1-associated female infertility

NMR and MD studies of the temperature-dependent dynamics of RNA YNMG-tetraloops.

On the characterization of host-guest complexes: surface tension, calorimetry, and molecular dynamics of cyclodextrins with a non-ionic surfactant.

Role of Pseudoisocytidine Tautomerization in Triplex-Forming Oligonucleotides: In Silico and in Vitro Studies.

Role of lipid composition on the structural and mechanical features of axonal membranes: a molecular simulation study.

Sampling and convergence in free energy calculations of protein-ligand interactions: the binding of triphenoxypyridine derivatives to factor Xa and trypsin

Self-assembling dipeptides: conformational sampling in solvent-free coarse-grained simulation.

Self-assembling dipeptides: including solvent degrees of freedom in a coarse-grained model

Sequence dependency of canonical base pair opening in the DNA double helix.

Spontaneous β-helical fold in prion protein: The case of PrP(82-146)

Structural Basis of Egg Coat-Sperm Recognition at Fertilization.

Structural basis for the enantioselectivity of an epoxide ring opening reaction catalyzed by halo alcohol dehalogenase HheC.

The ability of locked nucleic acid oligonucleotides to pre-structure the double helix: A molecular simulation and binding study

The free energy of locking a ring: Changing a deoxyribonucleoside to a locked nucleic acid

Transferability of Nonbonded Interaction Potentials for Coarse-Grained Simulations: Benzene in Water

Triple helical DNA in a duplex context and base pair opening

Understanding binding affinity: a combined isothermal titration calorimetry/molecular dynamics study of the binding of a series of hydrophobically modified benzamidinium chloride inhibitors to trypsin

What NMR Relaxation Can Tell Us about the Internal Motion of an RNA Hairpin: A Molecular Dynamics Simulation Study