Wilfred F. van Gunsteren

2009
25	EE	Daan P. Geerke, Sandra Luber, Koni H. Marti, Wilfred F. van Gunsteren: On the direct calculation of the free energy of quantization for molecular systems in the condensed phase. Journal of Computational Chemistry 30(4): 514-523 (2009)
2008
24	EE	Markus Christen, Wilfred F. van Gunsteren: On searching in, sampling of, and dynamically moving through conformational space of biomolecular systems: A review. Journal of Computational Chemistry 29(2): 157-166 (2008)
2006
23	EE	Haibo Yu, Daan P. Geerke, Haiyan Liu, Wilfred F. van Gunsteren: Molecular dynamics simulations of liquid methanol and methanol-water mixtures with polarizable models. Journal of Computational Chemistry 27(13): 1494-1504 (2006)
22	EE	Yu Zhou, Chris Oostenbrink, Aldo Jongejan, Wilfred F. van Gunsteren, Wilfred R. Hagen, Simon W. De Leeuw, Jaap A. Jongejan: Computational study of ground-state chiral induction in small peptides: Comparison of the relative stability of selected amino acid dimers and oligomers in homochiral and heterochiral combinations. Journal of Computational Chemistry 27(7): 857-867 (2006)
2005
21	EE	Haibo Yu, Wilfred F. van Gunsteren: Accounting for polarization in molecular simulation. Computer Physics Communications 172(2): 69-85 (2005)
20	EE	Markus Christen, Philippe H. Hünenberger, Dirk Bakowies, Riccardo Baron, Roland Bürgi, Daan P. Geerke, Tim N. Heinz, Mika A. Kastenholz, Vincent Kräutler, Chris Oostenbrink, Christine Peter, Daniel Trzesniak, Wilfred F. van Gunsteren: The GROMOS software for biomolecular simulation: GROMOS05. Journal of Computational Chemistry 26(16): 1719-1751 (2005)
19	EE	Thereza A. Soares, Philippe H. Hünenberger, Mika A. Kastenholz, Vincent Kräutler, Thomas Lenz, Roberto D. Lins, Chris Oostenbrink, Wilfred F. van Gunsteren: An improved nucleic acid parameter set for the GROMOS force field. Journal of Computational Chemistry 26(7): 725-737 (2005)
2004
18	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
17	EE	Chris Oostenbrink, Wilfred F. van Gunsteren: Single-step perturbations to calculate free energy differences from unphysical reference states: Limits on size, flexibility, and character. Journal of Computational Chemistry 24(14): 1730-1739 (2003)
16	EE	Alice Glättli, Xavier Daura, Wilfred F. van Gunsteren: A novel approach for designing simple point charge models for liquid water with three interaction sites. Journal of Computational Chemistry 24(9): 1087-1096 (2003)
2002
15	EE	Fred A. Hamprecht, Walter Thiel, Wilfred F. van Gunsteren: Chemical Library Subset Selection Algorithms: A Unified Derivation Using Spatial Statistics. Journal of Chemical Information and Computer Sciences 42(2): 414-428 (2002)
14	EE	D. Kony, Wolfgang Damm, S. Stoll, Wilfred F. van Gunsteren: An improved OPLS-AA force field for carbohydrates. Journal of Computational Chemistry 23(15): 1416-1429 (2002)
2001
13	EE	Lukas D. Schuler, Xavier Daura, Wilfred F. van Gunsteren: An improved GROMOS96 force field for aliphatic hydrocarbons in the condensed phase. Journal of Computational Chemistry 22(11): 1205-1218 (2001)
12	EE	Vincent Kräutler, Wilfred F. van Gunsteren, Philippe H. Hünenberger: A fast SHAKE algorithm to solve distance constraint equations for small molecules in molecular dynamics simulations. Journal of Computational Chemistry 22(5): 501-508 (2001)
2000
11	EE	Wolfgang Damm, Wilfred F. van Gunsteren: Reversible peptide folding: Dependence on molecular force field used. Journal of Computational Chemistry 21(9): 774-787 (2000)
10	EE	Xavier Daura, Eric Haaksma, Wilfred F. van Gunsteren: Factor Xa: Simulation studies with an eye to inhibitor design. Journal of Computer-Aided Molecular Design 14(6): 507-529 (2000)
1999
9	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
8	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)
1997
7	EE	Christian D. Berweger, Wilfred F. van Gunsteren, Florian Müller-Plathe: Finite element interpolation for combined classical/quantum mechanical molecular dynamics simulations. Journal of Computational Chemistry 18(12): 1484-1495 (1997)
1995
6		H. Bekker, H. J. C. Berendesen, Wilfred F. van Gunsteren: Force and Cirial of Torsional-Angle-Dependent Potentials. Journal of Computational Chemistry 16(5): 527-533 (1995)
1994
5		Andrew E. Torda, Wilfred F. van Gunsteren: Algorithms for Clustering Molecular Dynamics Confogurations. Journal of Computational Chemistry 15(12): 1331-1340 (1994)
4		Thomas Huber, Andrew E. Torda, Wilfred F. van Gunsteren: Local elevation: A method for improving the searching properties of molecular dynamics simulation. Journal of Computer-Aided Molecular Design 8(6): 695-708 (1994)
1993
3		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)
1992
2		Anton Gunzinger, Urs A. Müller, Walter Scott, Bernhard Bäumle, Peter Kohler, Johann vonder Mühll, Florian Müller-Plathe, Wilfred F. van Gunsteren, Walter Guggenbühl: Achieving Super Computer Performance with a DSP Array Processor. SC 1992: 543-550
1		René C. van Schaik, Wilfred F. van Gunsteren, Herman J. C. Berendsen: Conformational search by potential energy annealing: Algorithm and application to cyclosporin A. Journal of Computer-Aided Molecular Design 6(2): 97-112 (1992)

Coauthor Index

1	Dirk Bakowies	[20]
2	Riccardo Baron	[20]
3	Bernhard Bäumle	[2]
4	H. Bekker	[6]
5	H. J. C. Berendesen	[6]
6	Herman J. C. Berendsen	[1]
7	Christian D. Berweger	[7]
8	Roland Bürgi	[20]
9	Markus Christen	[20] [24]
10	Wolfgang Damm	[11] [14]
11	Xavier Daura	[8] [10] [13] [16]
12	Daan P. Geerke	[20] [23] [25]
13	Paul R. Gerber	[3]
14	Alice Glättli	[16]
15	Walter Guggenbühl	[2]
16	Anton Gunzinger	[2]
17	Eric Haaksma	[10]
18	Wilfred R. Hagen	[22]
19	Fred A. Hamprecht	[15]
20	Tim N. Heinz	[20]
21	Thomas Huber	[4]
22	Philippe H. Hünenberger	[12] [19] [20]
23	Aldo Jongejan	[22]
24	Jaap A. Jongejan	[22]
25	Mika A. Kastenholz	[19] [20]
26	Peter Kohler	[2]
27	D. Kony	[14]
28	Vincent Kräutler	[12] [19] [20]
29	Simon W. De Leeuw	[22]
30	Thomas Lenz	[19]
31	Roberto D. Lins	[19]
32	Haiyan Liu	[23]
33	Sandra Luber	[25]
34	Alan E. Mark	[3] [8] [9] [18]
35	Koni H. Marti	[25]
36	Johann vonder Mühll	[2]
37	Urs A. Müller	[2]
38	Florian Müller-Plathe	[2] [7]
39	Chris Oostenbrink	[17] [18] [19] [20] [22]
40	Christine Peter	[20]
41	Heiko Schäfer	[9]
42	René C. van Schaik	[1]
43	Lukas D. Schuler	[13]
44	Walter Scott	[2]
45	Thereza A. Soares	[19]
46	S. Stoll	[14]
47	Walter Thiel	[15]
48	Andrew E. Torda	[4] [5]
49	Daniel Trzesniak	[20]
50	Alessandra Villa	[18]
51	Haibo Yu	[21] [23]
52	Yu Zhou	[22]

Colors in the list of coauthors