Issue April 2002

Volume 19
No. 5 (p 731-946)
April 2002
ISSN 0739-1102

The Lown Symposium: The Field of DNA Minor Groove Binders Celebrates the Career of Professor J. William Lown (p. 731-734)

William H. Gmeiner

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Protein Folding: Is Hierarchical Versus Nonhierarchical a Productive Issue? (p. 735-738)

Ariel Fernández

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Pathway Diversity and Concertedness in Protein Folding: An ab-initio Approach (p. 739-764)

Andrés Colubri, Ariel Fernández

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Homology Modeling of Falcipain-2: Validation, De Novo Ligand Design and Synthesis of Novel Inhibitors (p. 765-774)

Yogesh Sabnis, Philip J. Rosenthal, Prashant Desai, Mitchell A. Avery

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Molecular Dynamics Simulations of Conformational Behavior of Linear RGD Peptidomimetics and Cyclic Prodrugs in Aqueous and Octane Solutions (p. 775-788)

Janaki Mahadevan, Christine Xu, Teruna Siahaan, Krzysztof Kuczera

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Structural and ICAM-1-Docking Properties of a Cyclic Peptide from the I-domain of LFA-1: An Inhibitor of ICAM-1/LFA-1-mediated T-cell Adhesion (p. 789-800)

Christine R. Xu, Helena Yusuf-Makagiansar, Yongbo Hu, Seetharama D.S. Jois, Teruna J. Siahaan

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Molecular Dynamics Simulations of Calcium-Free Calmodulin in Solution (p. 801-820)

Cheng Yang, Krzysztof Kuczera

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Molecular Dynamics Study of Ca²⁺ Binding Loop Variants of Silver Hake Parvalbumin with Aspartic Acid at the "Gateway" Position (p. 821-838)

Kamau Fahie, Rebecca Pitts, Kelly M. Elkins, Donald J. Nelson

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Molecular Dynamics Simulation of 7, 8-dihydro-8-Oxoguanine DNA (p. 839-852)

Hisashi Ishida

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The Structure and Dynamics of the U4/U6 snRNP: Implications for Pre-mRNA Splicing and Use as a Model System to Investigate the RNA-Mediated Effects of ^5FUra (p. 853-862)

William H. Gmeiner

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Explicit Solvent Molecular Dynamics Simulation of Duplex Formed by the Modified Oligonucleotide with Alternating Phosphate/Phosphonate Internucleoside Linkages and its Natural Counterpart (p. 863-876)

Ivan Barvík, Jr., Josef Stepánek, Jirí Bok

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Mechanical Model of the Nucleosome and Chromatin (p. 877-888)

Thomas C. Bishop, Oleksandr O. Zhmudsky

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Poly(rA)·Poly(rU) with Ni²⁺ Ions at Different Temperatures: Infrared Absorption and Vibrational Circular Dichroism Spectroscopy (p. 889-906)

V. Andrushchenko, Yu. Blagoi, J.H. van de Sande, H. Wieser

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Low Temperature Solution Structures and Base Pair Stacking of Double Helical d(CGTACG)₂ (p. 907-918)

Sik Lok Lam, Lai Nang Ip

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Flexible Elements in the Structure of Promoter DNA as Probed by Cationic Surfactant Binding (p. 919-928)

I. S. Masulis, V. A. Buckin, O. N. Ozoline

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Distinguishing "Looped-Out" and "Stacked-In" DNA Bulge Conformation Using Fluorescent 2-Aminopurine Replacing a Purine Base (p. 929-934)

Yuguo Jiao, Sandra Stringfellow, Hongtao Yu

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DNA Binding Properties of Novel Dansylated Distamycin Analogues in Which the Fluorophore is Directly Conjugated to the N-methyl-pyrrole Carboxamide Backbone (p. 935-946)

Santanu Bhattacharya, Mini Thomas

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Issue April 2002

The Lown Symposium: The Field of DNA Minor Groove Binders Celebrates the Career of Professor J. William Lown (p. 731-734)

Protein Folding: Is Hierarchical Versus Nonhierarchical a Productive Issue? (p. 735-738)

Pathway Diversity and Concertedness in Protein Folding: An ab-initio Approach (p. 739-764)

Homology Modeling of Falcipain-2: Validation, De Novo Ligand Design and Synthesis of Novel Inhibitors (p. 765-774)

Molecular Dynamics Simulations of Conformational Behavior of Linear RGD Peptidomimetics and Cyclic Prodrugs in Aqueous and Octane Solutions (p. 775-788)

Structural and ICAM-1-Docking Properties of a Cyclic Peptide from the I-domain of LFA-1: An Inhibitor of ICAM-1/LFA-1-mediated T-cell Adhesion (p. 789-800)

Molecular Dynamics Simulations of Calcium-Free Calmodulin in Solution (p. 801-820)

Molecular Dynamics Study of Ca²⁺ Binding Loop Variants of Silver Hake Parvalbumin with Aspartic Acid at the "Gateway" Position (p. 821-838)

Molecular Dynamics Simulation of 7, 8-dihydro-8-Oxoguanine DNA (p. 839-852)

The Structure and Dynamics of the U4/U6 snRNP: Implications for Pre-mRNA Splicing and Use as a Model System to Investigate the RNA-Mediated Effects of ^5FUra (p. 853-862)

Explicit Solvent Molecular Dynamics Simulation of Duplex Formed by the Modified Oligonucleotide with Alternating Phosphate/Phosphonate Internucleoside Linkages and its Natural Counterpart (p. 863-876)

Mechanical Model of the Nucleosome and Chromatin (p. 877-888)

Poly(rA)·Poly(rU) with Ni²⁺ Ions at Different Temperatures: Infrared Absorption and Vibrational Circular Dichroism Spectroscopy (p. 889-906)

Low Temperature Solution Structures and Base Pair Stacking of Double Helical d(CGTACG)₂ (p. 907-918)

Flexible Elements in the Structure of Promoter DNA as Probed by Cationic Surfactant Binding (p. 919-928)

Distinguishing "Looped-Out" and "Stacked-In" DNA Bulge Conformation Using Fluorescent 2-Aminopurine Replacing a Purine Base (p. 929-934)

DNA Binding Properties of Novel Dansylated Distamycin Analogues in Which the Fluorophore is Directly Conjugated to the N-methyl-pyrrole Carboxamide Backbone (p. 935-946)