Alan E. Mark

2009
10	EE	Xavier Periole, Lucy R. Allen, Kamil Tamiola, Alan E. Mark, Emanuele Paci: Probing the free energy landscape of the FBP28WW domain using multiple techniques. Journal of Computational Chemistry 30(7): 1059-1068 (2009)
2006
9	EE	Tsjerk A. Wassenaar, Alan E. Mark: The effect of box shape on the dynamic properties of proteins simulated under periodic boundary conditions. Journal of Computational Chemistry 27(3): 316-325 (2006)
2005
8	EE	David van der Spoel, Erik Lindahl, Berk Hess, Gerrit Groenhof, Alan E. Mark, Herman J. C. Berendsen: GROMACS: Fast, flexible, and free. Journal of Computational Chemistry 26(16): 1701-1718 (2005)
7	EE	Serena Donnini, Alan E. Mark, André H. Juffer, Alessandra Villa: Incorporating the effect of ionic strength in free energy calculations using explicit ions. Journal of Computational Chemistry 26(2): 115-122 (2005)
2004
6	EE	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. Journal of Computational Chemistry 25(13): 1656-1676 (2004)
2003
5		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. Journal of Computer-Aided Molecular Design 17(10): 673-686 (2003)
2002
4	EE	Alessandra Villa, Alan E. Mark: Calculation of the free energy of solvation for neutral analogs of amino acid side chains. Journal of Computational Chemistry 23(5): 548-553 (2002)
1999
3	EE	Heiko Schäfer, Wilfred F. van Gunsteren, Alan E. Mark: Estimating relative free energies from a single ensemble: Hydration free energies. Journal of Computational Chemistry 20(15): 1604-1617 (1999)
1998
2	EE	Xavier Daura, Alan E. Mark, Wilfred F. van Gunsteren: Parametrization of aliphatic CHn united atoms of GROMOS96 force field. Journal of Computational Chemistry 19(5): 535-547 (1998)
1993
1		Paul R. Gerber, Alan E. Mark, Wilfred F. van Gunsteren: An approximate but efficient method to calculate free energy trends by computer simulation: Application to dihydrofolate reductase-inhibitor complexes. Journal of Computer-Aided Molecular Design 7(3): 305-323 (1993)

Coauthor Index

1	Lucy R. Allen	[10]
2	Herman J. C. Berendsen	[8]
3	Xavier Daura	[2]
4	Serena Donnini	[7]
5	Paul R. Gerber	[1]
6	Gerrit Groenhof	[8]
7	Wilfred F. van Gunsteren	[1] [2] [3] [6]
8	Berk Hess	[8]
9	André H. Juffer	[7]
10	Erik Lindahl	[8]
11	Chris Oostenbrink	[6]
12	Emanuele Paci	[10]
13	Xavier Periole	[10]
14	Gilles Pieffet	[5]
15	Heiko Schäfer	[3]
16	David van der Spoel	[8]
17	Kamil Tamiola	[10]
18	Alessandra Villa	[4] [5] [6] [7]
19	Tsjerk A. Wassenaar	[9]
20	Ronen Zangi	[5]

Colors in the list of coauthors