Issue August 2001

category image Volume 19
No. 1 (p 1-192)
August 2001
ISSN 0739-1102

Dynamics of the Substrate Binding Pocket in the Presence of an Inhibitor Covalently Attached to a Fungal Lipase (p. 1-15)

Günther H. Peters, Morten Ø. Jensen, Robert P. Bywater

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Dimer Interface of Transmembrane Domains for neu/erbB-2 Receptor Dimerization and Transforming Activation: A Model Revealed by Molecular Dynamics Simulations (p. 15-32)

Nicolas Sajot, Monique Genest

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Molecular Modeling of Sialyloligosaccharide Fragments into the Active Site of Influenza Virus N9 Neuraminidase (p. 33-46)

K. Veluraja, M. Xavier Suresh, T. Hema Thanka Christlet, Z. A. Rafi

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Conformation and Structural Transitions in the EF-Hands of Calmodulin (p. 47-58)

Anu K. Moorthy, M. R. N. Murthy

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Calcium Binding of Transglutaminases: A 43Ca NMR Study Combined with Surface Polarity Analysis (p. 59-74)

Attila Ambrus, Istvan Banyai, Manfred S. Weiss, Rolf Hilgenfeld, Zsolt Keresztessy, Laszlo Muszbek, Laszlo Fesus

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Modeling and Analysis of the Structure of the Thermostable Catechol 2,3-Dioxygenase from Bacillus Stearothermophilus (p. 75-84)

Linsen Dai, Chaoneng Ji, Dacao Gao, Jian Wang, Tao Jiang, Anding Bi, Xiaoyu Sheng, Yumin Mao

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Research Strategies for Design and Development of NSAIDs: Clue to Balance Potency and Toxicity of Acetanilide Compounds (p. 85-94)

Asok K. Pal, Sawan Sen, Sreya Ghosh, Asim K. Bera, Suparna Bhattacharya, Sibani Chakraborty, Asok Banerjee

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The Effects of Anions on the Solution Structure of Na,K-ATPase (p. 95-104)

J. F. Neault, A. Benkiran, H. Malonga, H. A. Tajmir-Riahi

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Deducing Hydration Sites of a Protein from Molecular Dynamics Simulations (p. 105-114)

M. S. Madhusudhan, S. Vishveshwara

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Non-hydrogen Bond Interactions Involving the Methionine Sulfur Atom (p. 115-128)

Debnath Pal, Pinak Chakrabarti

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Substance P (Free Acid) Adopts Different Conformation than Native Peptide in DMSO, Water and DPPC Bilayers (p. 129-140)

Anant B. Patel, Sudha Srivastava, Ratna S. Phadke

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RADACK, a Stochastic Simulation of Hydroxyl Radical Attack to DNA (p. 141-158)

Marie Begusova, Melanie Spotheim-Maurizot, Denise Sy, Veslav Michalik, Michel Charlier

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Solution Structure of the Dodecamer d-(CATGGGCCCATG)2 is B-DNA. Experimental and Molecular Dynamics Study (p. 159-174)

Utz Dornberger, Nadezda Spackova, Axel Walter, Friedrich A. Gollmick, Jirí Sponer, Hartmut Fritzsche

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Molecular Modelling of Ligand-DNA Minor Groove Binding: Role of Ligand-Water Interactions (p. 175-178)

A. L. Mikheikin, A. L. Zhuze, A. S. Zasedatelev

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A Theoretical Study of the cis-syn Pyrimidine Dimers in the Gas Phase and Water Cluster and a Tautomer-Bypass Mechanism for the Origin of UV-induced Mutations (p. 179-192)

V. I. Danilov, A. Les, J. L. Alderfer

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