Journal of Biomolecular Structure and Dynamics

Volume 16, Issue Number 3, December 1998

CONTENTS

Molecular Dynamics Simulations of Environment and Sequence Dependent DNA Conformations: The Development of the BMS Nucleic Acid Force Field and Comparison with Experimental Results
David R. Langley 487-509

Molecular Dynamics Simulations on Parallel and Antiparallel C.G*G Triplexes
M. Ravi Kiran and Manju Bansal 511-526

Molecular Mechanics Calculations on a Triple Stranded DNA Involving C+.G-T and T.A+-C Mismatched Base Triples
Sukesh R. Bhaumik, Kandala V.R. Chary and Girjesh Govil 527-534

A Model for Parallel Triple Helix Formation by RecA: Single-Strand Association with a Homologous Duplex via the Minor Groove
Guillaume Bertucat, Richard Lavery and Chantal Prévost 535-546

The Solution Conformation of a Carbocyclic Analog of the Dickerson-Drew Dodecamer: Comparison with its Own X-Ray Structure and that of the NMR Structure of the Native Counterpart
Aleksej Yu. Denisov, E.V. Zamaratski, Tatiana V. Maltseva, Anders Sandström, Somer Bekiroglu, Karl-Heinz Altmann, Martin Egli and Jyoti Chattopadhyaya 547-568

The Residence Time of the Bound Water in the Hydrophobic Minor Groove of the Carbocyclic-Nucleoside Analogs of Dickerson-Drew Dodecamers
T. V. Maltseva, K.-H. Altmann, M. Egli and J. Chattopadhyaya 569-578

Molecular Dynamics Simulations of DNA in Solution with Different Counter-ions
A.P. Lyubartsev and A. Laaksonen 579-592

Modeling the Mechanics of a DNA Oligomer
Anne Lebrun and Richard Lavery 593-604

DNA Curvature and Phosphate Neutralization: An Important Aspect of Specific Protein Binding
Raphael Gurlie and Krystyna Zakrzewska 605-618

Nitrogen-15 Chemical Shifts in AT (Adenine-Thymine) and CG (Cytosine-Guanine) Nucleic Acid Base Pairs
Julio C. Facelli 619-629

Sequence-Dependent Binding of Metal Ion to DNA Oligomeres. A Comparison of Molecular Electrostatic Potentials with NMR Data
Michael Montrel, Vasily P. Chuprina, Valery I. Poltev, Willy Nerdel and Einar Sletten 631-637

An NMR Study of d(CTACTGCTTTAG).d(CTAAAGCAGTAG) Showing Hydration Water Molecules in the Minor Groove of a TpA Step
S. Lepore, O. Mauffret, S. El Antri, O. Convert, E. Lescot, G. Tevanian and D. Fermandjian 639-649

The Biological Implications of Damage to DNA Incorporating an 8-Oxodeoxyguanine: Cytosine Basepair
Alex Ninabar and Julia M. Goodfellow 651-661

Terminal Twist Induced Continuous Writhe of a Circular Rod with Intrinsic Curvature
Hong Qian and James White 663-669

Continuum Solvent Studies of the Stability of RNA Hairpin Loops and Helices
Jayashree Srinivasan, Jennifer Miller, Peter A. Kollman and David A. Case 671-682

Structural Model of the HIV-1 Tat(46-58)-TAR Complex
Michael J. Seewald, Armin U. Metzger, Dieter Willbond, Paul Rösch and Heinrich Sticht 683-692

Hydration of RNA Base Pairs
Pascal Auffinger and Eric Westhof 693-707

To Knot or Not to Knot? Examination of 16S Ribosomal RNA Models
Margaret S. VanLoock, Brett A. Harris and Stephen C. Harvey 709-713

Modeling of Angiogenin - 3'-NMP Complex
M.S. Madhusudhan and Saraswathi Vishveshwara 715-722

Computer Simulation Studies of the Fully Solvated Wild-Type and Mutated GnRH in Extended and Beta-turn Conformations
Mihaly Mezei and Frank Guarnieri 723-732

Brownian and Essential Dynamics Studies of the HIV-1 Integrase Catalytic Domain
Wolfgang Weber, Hagop Demirdjian, Roberto D. Lins, James M. Briggs, Ricardo Ferreira and J. Andrew McCammon 733-745

NMR and Molecular Dynamics Studies of Tachykinins: Conformation of Substance P Fragment 4-11
Evans Coutinho, Shantaram Kamath, Anil Saran and Sudha Srivastava 747-755

 

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