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What stabilizes the 314-helix in beta3-peptides? A conformational analysis using molecular simulation. |
Authors: Keller, B.; Gattin, Z.; van Gunsteren, W. F. | Date of Publication (YYYY-MM-DD): 2010-05-15 | Title of Journal: Proteins | Volume: 78 | Issue / Number: 7 | Start Page: 1677 | End Page: 1690 | Document Type: Article | ID: 535984.0 |
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Analysis of neo-pentane-urea pair potentials of mean force in aqueous urea |
Authors: Trzesniak, D.; Van Der Vegt, Nico F. A.; Van Gunsteren, W. F. | Date of Publication (YYYY-MM-DD): 2007 | Title of Journal: Molecular Physics | Volume: 105 | Issue / Number: 1 | Start Page: 33 | End Page: 39 | Document Type: Article | ID: 313673.0 |
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Enthalpy-entropy compensation in the effects of urea on hydrophobic interactions |
Authors: van der Vegt, Nico F. A.; Lee, M. E.; Trzesniak, D.; van Gunsteren, W. F. | Date of Publication (YYYY-MM-DD): 2006 | Title of Journal: Journal of Physical Chemistry B | Volume: 110 | Issue / Number: 26 | Start Page: 12852 | End Page: 12855 | Document Type: Article | ID: 284824.0 |
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Biomolecular modeling: Goals, problems, perspectives |
Authors: van Gunsteren, W. F.; Bakowies, D.; Baron, R.; Chandrasekhar, I.; Christen, M.; Daura, X.; Gee, P.; Geerke, D. P.; Glättli, A.; Hünenberger, P. H.; Kastenholz, M. A.; Ostenbrink, C.; Schenk, M.; Trzesniak, D.; van der Vegt, Nico F. A.; Yu, H. B. | Date of Publication (YYYY-MM-DD): 2006 | Title of Journal: Angewandte Chemie-International Edition | Volume: 45 | Issue / Number: 25 | Start Page: 4064 | End Page: 4092 | Document Type: Article | ID: 284844.0 |
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Entropic contributions in cosolvent binding to hydrophobic solutes in water |
Authors: van der Vegt, Nico F. A.; van Gunsteren, W. F. | Date of Publication (YYYY-MM-DD): 2004-01-22 | Title of Journal: Journal of Physical Chemistry B | Volume: 108 | Issue / Number: 3 | Start Page: 1056 | End Page: 1064 | Document Type: Article | ID: 117150.0 |
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Computer simulation studies on the solvation of aliphatic hydrocarbons in 6.9 M aqueous urea solution |
Authors: Trzesniak, D.; van der Vegt, Nico F. A.; van Gunsteren, W. F. | Date of Publication (YYYY-MM-DD): 2004 | Title of Journal: Physical Chemistry Chemical Physics | Volume: 6 | Issue / Number: 4 | Start Page: 697 | End Page: 702 | Document Type: Article | ID: 117133.0 |
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An effective force field for molecular dynamics simulations of dimethyl sulfoxide and dimethyl sulfoxide-water mixtures |
Authors: Geerke, D. P.; Oostenbrink, C.; van der Vegt, Nico F. A.; van Gunsteren, W. F. | Date of Publication (YYYY-MM-DD): 2004 | Title of Journal: Journal of Physical Chemistry B | Volume: 108 | Issue / Number: 4 | Start Page: 1436 | End Page: 1445 | Document Type: Article | ID: 199034.0 |
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Chemical library subset selection algorithms: A unified derivation using spatial statistics |
Authors: Hamprecht, F. A.; Thiel, W.; van Gunsteren, W. F. | Date of Publication (YYYY-MM-DD): 2002-03 | Title of Journal: Journal of Chemical Information and Computer Sciences | Volume: 42 | Issue / Number: 2 | Start Page: 414 | End Page: 428 | Document Type: Article | ID: 20115.0 |
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