Alessandra Villa - researchr alias

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Viewing Publication 1 - 7 from 7

2018

Modeling pK Shift in DNA Triplexes Containing Locked Nucleic AcidsYossa Dwi Hartono, You Xu, Andrey Karshikoff, Lennart Nilsson, Alessandra Villa. jcisd, 58(4):773-783, 2018. [doi]

2017

Sequence dependency of canonical base pair opening in the DNA double helixViveca Lindahl, Alessandra Villa, Berk Hess. ploscb, 13(4), 2017. [doi]

The free energy of locking a ring: Changing a deoxyribonucleoside to a locked nucleic acidYou Xu, Alessandra Villa, Lennart Nilsson. jcc, 38(15):1147-1157, 2017. [doi]

2005

Incorporating the effect of ionic strength in free energy calculations using explicit ionsSerena Donnini, Alan E. Mark, André H. Juffer, Alessandra Villa. jcc, 26(2):115-122, 2005. [doi]

2004

A biomolecular force field based on the free enthalpy of hydration and solvation: The GROMOS force-field parameter sets 53A5 and 53A6Chris Oostenbrink, Alessandra Villa, Alan E. Mark, Wilfred F. van Gunsteren. jcc, 25(13):1656-1676, 2004. [doi]

2003

Sampling and convergence in free energy calculations of protein-ligand interactions: The binding of triphenoxypyridine derivatives to factor Xa and trypsinAlessandra Villa, Ronen Zangi, Gilles Pieffet, Alan E. Mark. jcamd, 17(10):673-686, 2003.

2002

Calculation of the free energy of solvation for neutral analogs of amino acid side chainsAlessandra Villa, Alan E. Mark. jcc, 23(5):548-553, 2002. [doi]

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