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Int. J. Mol. Sci., Volume 5, Issue 4 (April-July 2004), Pages 110-223

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p. 110-118 Open Access Frédéric Haitayan and Francis F. Muguet Article: Ab initio Study of Alkyl-oxonium Cations CnH2n+1OH2+, n=1,2,3,4 Int. J. Mol. Sci. 2004, 5(4), 110-118; doi:10.3390/i5040110 Received: 26 November 2003 / Accepted: 5 July 2004 / Published: 8 August 2004 Show/Hide Abstract | Download PDF Full-text (158 KB)
p. 119-128 Open Access A. Rubinstein, L. Kinarsky and S. Sherman Article: Molecular Dynamics Simulations of the O-glycosylated 21-residue MUC1 Peptides Int. J. Mol. Sci. 2004, 5(4), 119-128; doi:10.3390/i5040119 Received: 16 April 2003 / Accepted: 7 July 2003 / Published: 16 March 2004 Show/Hide Abstract | Download PDF Full-text (679 KB)
p. 129 Open Access Jaroslav Burda, Jerzy Leszczynski and W. A. Sokalski Editorial: Preface Int. J. Mol. Sci. 2004, 5(4), 129; doi:10.3390/i5040129 Received: 22 May 2004 / Published: 28 May 2004 Show/Hide Abstract | Download PDF Full-text (78 KB)
(This article belongs to the Special Issue Proceedings of the Workshop on Modeling Interaction in Biomolecules)
p. 130-140 Open Access Yuguang Ma and Peter Politzer Article: Electronic Density Approaches to the Energetics of Noncovalent Interactions Int. J. Mol. Sci. 2004, 5(4), 130-140; doi:10.3390/i5040130 Received: 15 December 2003 / Accepted: 11 March 2004 / Published: 1 April 2004 Show/Hide Abstract | Download PDF Full-text (213 KB)
(This article belongs to the Special Issue Proceedings of the Workshop on Modeling Interaction in Biomolecules)
p. 141-153 Open Access Edyta Dyguda, Borys Szefczyk and W. A. Sokalski Article: The Mechanism of Phosphoryl Transfer Reaction and the Role of Active Site Residues on the Basis of Ribokinase-Like Kinases Int. J. Mol. Sci. 2004, 5(4), 141-153; doi:10.3390/i5040141 Received: 15 December 2003 / Accepted: 11 March 2004 / Published: 1 April 2004 Show/Hide Abstract | Download PDF Full-text (924 KB)
(This article belongs to the Special Issue Proceedings of the Workshop on Modeling Interaction in Biomolecules)
p. 154-173 Open Access Radka S. Vařeková, Jaroslav Koča and Chang-Guo Zhang Article: Complexity and Convergence of Electrostatic and van der Waals Energies within PME and Cutoff Methods Int. J. Mol. Sci. 2004, 5(4), 154-173; doi:10.3390/i5040154 Received: 15 December 2003 / Accepted: 11 March 2004 / Published: 1 April 2004 Show/Hide Abstract | Download PDF Full-text (357 KB)
(This article belongs to the Special Issue Proceedings of the Workshop on Modeling Interaction in Biomolecules)
p. 174-185 Open Access Goran A. Bogdanović, Vesna Medaković, Miloš K. Milčić and Snežana D. Zarić Article: Intramolecular C−H···π Interactions in Metal-Porphyrin Complexes Int. J. Mol. Sci. 2004, 5(4), 174-185; doi:10.3390/i5040174 Received: 15 December 2003 / Accepted: 11 March 2004 / Published: 1 April 2004 Show/Hide Abstract | Download PDF Full-text (339 KB)
(This article belongs to the Special Issue Proceedings of the Workshop on Modeling Interaction in Biomolecules)
p. 186-195 Open Access Pawel Kedzierski, Pawel Wielgus, Adrian Sikora, W. A. Sokalski and Jerzy Leszczynski Article: Visualization of the Differential Transition State Stabilization within the Active Site Environment Int. J. Mol. Sci. 2004, 5(4), 186-195; doi:10.3390/i5040186 Received: 15 December 2003 / Published: 31 May 2004 Show/Hide Abstract | Download PDF Full-text (634 KB)
(This article belongs to the Special Issue Proceedings of the Workshop on Modeling Interaction in Biomolecules)
p. 196-213 Open Access Josef Šeda, Jaroslav V. Burda, Veronika Brázdová and Vojtěch Kapsa Article: Estimation of Electron Spectra Transitions of Free-Based Porphin and Mg-Porphin Using Various Quantum Chemical Approaches Int. J. Mol. Sci. 2004, 5(4), 196-213; doi:10.3390/i5040196 Received: 15 December 2003 / Accepted: 14 April 2004 / Published: 31 May 2004 Show/Hide Abstract | Download PDF Full-text (751 KB)
(This article belongs to the Special Issue Proceedings of the Workshop on Modeling Interaction in Biomolecules)
p. 214-223 Open Access Rudolf Zahradník Article: Interactions between Physics and Biodisciplines within the Framework of Molecular Sciences Int. J. Mol. Sci. 2004, 5(4), 214-223; doi:10.3390/i5040214 Received: 15 March 2004 / Accepted: 23 April 2004 / Published: 31 May 2004 Show/Hide Abstract | Download PDF Full-text (160 KB)
(This article belongs to the Special Issue Proceedings of the Workshop on Modeling Interaction in Biomolecules)
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Int. J. Mol. Sci. EISSN 1422-0067 Published by MDPI Publishing, Basel, Switzerland RSS E-Mail Table of Contents Alert