Issue April 2012

category image Volume 29
No. 5 (p 843-1099)
April 2012
ISSN 0739-1102

Editorial Notice
Notice to Subscribers, Authors and Readers

Victoria Gardner

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Open Access
The Roles of Intrinsic Disorder in Orchestrating the Wnt-Pathway

Bin Xue, A. Keith Dunker, Vladimir N. Uversky

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Molecular Dynamics of HIV1-Integrase in Complex with 93del – A Structural Perspective on the Mechanism of Inhibition

Miriam Sgobba, Olujide Olubiyi, Song Ke, Shozeb Haider

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Importance of V3 Loop Flexibility and Net Charge in the Context of Co-Receptor Recognition. A Molecular Dynamics Study on HIV gp120

Balasubramanian Chandramouli, Giovanni Chillemi, Isabella Abbate, Maria R. Capobianchi, Gabriella Rozera, Alessandro Desideri

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Open Access
Denaturation of HIV-1 Protease (PR) Monomer by Acetic Acid: Mechanistic and Trajectory Insights from Molecular Dynamics Simulations and NMR

Aditi Borkar1#, Manoj Kumar Rout, Ramakrishna V. Hosur

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Open Access
Molecular Dynamics Simulations on Pars Intercerebralis Major Peptide-C (PMP-C) Reveal the Role of Glycosylation and Disulfide Bonds in its Enhanced Structural Stability and Function

Sandeep Kaushik, Debasisa Mohanty, Avadhesha Surolia

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Potential Human Cholesterol Esterase Inhibitor Design: Benefits from the Molecular Dynamics Simulations and Pharmacophore Modeling Studies

Shalini John, Sundarapandian  Thangapandian, Keun Woo Lee

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In silico Investigation of the Disease-Associated Retinoschisin C110Y and C219G Mutants

Josephine W. Wu, Hsuan-Liang Liu

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Role of Hydrophobic Core on the Thermal Stability of Proteins – Molecular Dynamics Simulations on a Single Point Mutant of Sso7d Abstract

U. Deva Priyakumar

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Insights into the Substrate Specificity of a Thioesterase Rv0098 of Mycobacterium Tuberculosis through X-ray Crystallographic and Molecular Dynamics Studies

Koustav Maity, Preeti Bajaj, Namita Surolia, Avadhesha Surolia, Kaza Suguna

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Open Access
Permeation Pathway of Homomeric Connexin 26 and Connexin 30 Channels Investigated by Molecular Dynamics

Francesco Zonta, Guido Polles, Giuseppe Zanotti, Fabio Mammano

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Open Access
An Integrated Study of Tyrosinase Inhibition by Rutin: Progress Using a Computational Simulation

Yue-Xiu Si, Shang-Jun Yin, Sangho Oh, Zhi-Jiang Wang, Sen Ye, Li Yan, Jun-Mo Yang, Yong-Doo Park, Jinhyuk Lee, Guo-Ying Qian

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Probing the Interaction of Human Serum Albumin With Bilirubin in the Presence of Aspirin by Multi-Spectroscopic, Molecular Modeling and Zeta Potential Techniques: Insight on Binary and Ternary Systems

Akram Hosainzadeh, Mohsen Gharanfoli, Mohammad Reza Saberi, Jamshid Khan Chamani

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Influence of Serum Proteins on Conformation of Prostate-Specific Antigen

Olga Fedotoff, Larissa M. Mikheeva, Arnon Chait, Vladimir N. Uversky, Boris Y. Zaslavsky

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Molecular Dynamics of Anthraquinone DNA Intercalators with Polyethylene Glycol Side Chains

Shirlene Jackson Beckford, Dabney W. Dixon

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Predicting Nucleosome Positions in Yeast: Using the Absolute Frequency

Zhiqian Zhang, Yusen Zhang, Ivan Gutman

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A Novel Algorithm for Identification of Activated Cryptic 5′ Splice Sites

A Letter on an Algorithum

Kun-Nan Tsai, Guang-Wu Chen, Calvin Yu-Chian Chen

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April 2012
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