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2010 – 2019
- 2018
[j7]Yossa Dwi Hartono
, You Xu, Andrey Karshikoff, Lennart Nilsson, Alessandra Villa:
Modeling pK Shift in DNA Triplexes Containing Locked Nucleic Acids. J. Chem. Inf. Model. 58(4): 773-783 (2018)- 2017
- [j6]You Xu, Alessandra Villa, Lennart Nilsson:
The free energy of locking a ring: Changing a deoxyribonucleoside to a locked nucleic acid. J. Comput. Chem. 38(15): 1147-1157 (2017) - [j5]Viveca Lindahl, Alessandra Villa, Berk Hess:
Sequence dependency of canonical base pair opening in the DNA double helix. PLoS Comput. Biol. 13(4) (2017)
2000 – 2009
- 2005
- [j4]Serena Donnini, Alan E. Mark, André H. Juffer, Alessandra Villa:
Incorporating the effect of ionic strength in free energy calculations using explicit ions. J. Comput. Chem. 26(2): 115-122 (2005) - 2004
- [j3]Chris Oostenbrink, Alessandra Villa, Alan E. Mark, Wilfred F. van Gunsteren:
A biomolecular force field based on the free enthalpy of hydration and solvation: The GROMOS force-field parameter sets 53A5 and 53A6. J. Comput. Chem. 25(13): 1656-1676 (2004) - 2003
- [j2]Alessandra Villa, Ronen Zangi, Gilles Pieffet, Alan E. Mark:
Sampling and convergence in free energy calculations of protein-ligand interactions: The binding of triphenoxypyridine derivatives to factor Xa and trypsin. J. Comput. Aided Mol. Des. 17(10): 673-686 (2003) - 2002
- [j1]Alessandra Villa, Alan E. Mark:
Calculation of the free energy of solvation for neutral analogs of amino acid side chains. J. Comput. Chem. 23(5): 548-553 (2002)
Coauthor Index
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