Alessandra Villa

According to our database, Alessandra Villa authored at least 7 papers between 2002 and 2018.

Collaborative distances:

• Dijkstra number of five.
• Erdős number of five.

2018

Modeling pK Shift in DNA Triplexes Containing Locked Nucleic Acids.

Yossa Dwi Hartono, You Xu, Andrey Karshikoff, Lennart Nilsson, Alessandra Villa

J. Chem. Inf. Model., 2018

2017

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

Viveca Lindahl, Alessandra Villa, Berk Hess

PLoS Comput. Biol., 2017

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

You Xu, Alessandra Villa, Lennart Nilsson

J. Comput. Chem., 2017

2005

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

Serena Donnini, Alan E. Mark, André H. Juffer, Alessandra Villa

J. Comput. Chem., 2005

2004

A biomolecular force field based on the free enthalpy of hydration and solvation: The GROMOS force-field parameter sets 53A5 and 53A6.

Chris Oostenbrink, Alessandra Villa, Alan E. Mark, Wilfred F. van Gunsteren

J. Comput. Chem., 2004

2003

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

Alessandra Villa, Ronen Zangi, Gilles Pieffet, Alan E. Mark

J. Comput. Aided Mol. Des., 2003

2002

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

Alessandra Villa, Alan E. Mark

J. Comput. Chem., 2002