Journal of Biomolecular Structure and Dynamics, Volume 29, Issue 5 (2012)

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Journal of Biomolecular Structure and Dynamics, Volume 29, Issue 5 (2012)

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Original Articles

Article
The Roles of Intrinsic Disorder in Orchestrating the Wnt-Pathway
Bin Xue, A. Keith. Dunker & Vladimir N. Uversky
Pages: 843-861
Published online: 11 Jul 2012
AbstractforThe Roles of Intrinsic Disorder in Orchestrating the Wnt-Pathway | References | PDF (2.4 MB)
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Open Access
Article
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
Pages: 863-877
Published online: 04 Jun 2012
AbstractforMolecular Dynamics of HIV1-Integrase in Complex with 93del—A Structural Perspective on the Mechanism of Inhibition | References | PDF (2.8 MB)
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Article
Importance of V3 Loop Flexibility and Net Charge in the Context of Co-Receptor Recognition. A Molecular Dynamics Study on HIV gp120
Chandramouli Balasubramanian, Giovanni Chillemi, Isabella Abbate, Maria R. Capobianchi, Gabriella Rozera & Alessandro Desideri
Pages: 879-891
Published online: 04 Jun 2012
AbstractforImportance of V3 Loop Flexibility and Net Charge in the Context of Co-Receptor Recognition. A Molecular Dynamics Study on HIV gp120 | References | PDF (2.5 MB)
  • 176 Views
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Article
Denaturation of HIV-1 Protease (PR) Monomer by Acetic Acid: Mechanistic and Trajectory Insights from Molecular Dynamics Simulations and NMR
Aditi Borkar, Manoj Kumar Rout & Ramakrishna V. Hosur
Pages: 893-903
Published online: 11 Jul 2012
AbstractforDenaturation of HIV-1 Protease (PR) Monomer by Acetic Acid: Mechanistic and Trajectory Insights from Molecular Dynamics Simulations and NMR | References | PDF (3.1 MB)
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Open Access
Article
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
Pages: 905-920
Published online: 11 Jul 2012
AbstractforMolecular 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 | References | PDF (2.9 MB)
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Open Access
Article
Potential Human Cholesterol Esterase Inhibitor Design: Benefits from the Molecular Dynamics Simulations and Pharmacophore Modeling Studies
Shalini John, Sundarapandian Thangapandian & Keun Woo Lee
Pages: 921-936
Published online: 04 Jun 2012
AbstractforPotential Human Cholesterol Esterase Inhibitor Design: Benefits from the Molecular Dynamics Simulations and Pharmacophore Modeling Studies | Full Text | References | PDF (1.7 MB)
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Article
In silico Investigation of the Disease-Associated Retinoschisin C110Y and C219G Mutants
Josephine W. Wu & Hsuan-Liang Liu
Pages: 937-959
Published online: 04 Jun 2012
AbstractforIn silico Investigation of the Disease-Associated Retinoschisin C110Y and C219G Mutants | References | PDF (3.8 MB)
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Article
Role of Hydrophobic Core on the Thermal Stability of Proteins—Molecular Dynamics Simulations on a Single Point Mutant of Sso7d
U. Deva Priyakumar
Pages: 961-971
Published online: 04 Jun 2012
AbstractforRole of Hydrophobic Core on the Thermal Stability of Proteins—Molecular Dynamics Simulations on a Single Point Mutant of Sso7d | References | PDF (2.6 MB)
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Article
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
Pages: 973-983
Published online: 04 Jun 2012
AbstractforInsights into the Substrate Specificity of a Thioesterase Rv0098 of Mycobacterium Tuberculosis through X-ray Crystallographic and Molecular Dynamics Studies | References | PDF (1.6 MB)
  • 180 Views
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Article
Permeation Pathway of Homomeric Connexin 26 and Connexin 30 Channels Investigated by Molecular Dynamics
Francesco Zonta, Guido Polles, Giuseppe Zanotti & Fabio Mammano
Pages: 985-998
Published online: 11 Jul 2012
AbstractforPermeation Pathway of Homomeric Connexin 26 and Connexin 30 Channels Investigated by Molecular Dynamics | References | PDF (5.9 MB)
  • 647 Views
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Open Access
Article
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
Pages: 999-1012
Published online: 11 Jul 2012
AbstractforAn Integrated Study of Tyrosinase Inhibition by Rutin: Progress using a Computational Simulation | Full Text | References | PDF (5.1 MB)
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Open Access
Article
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 & JamshidKhan Chamani
Pages: 1013-1050
Published online: 11 Jul 2012
AbstractforProbing 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 | References | PDF (5.1 MB)
  • 280 Views
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Article
Influence of Serum Proteins on Conformation of Prostate-Specific Antigen
Olga Fedotoff, Larissa M. Mikheeva, Arnon Chait, Vladimir N. Uversky & Boris Y. Zaslavsky
Pages: 1051-1064
Published online: 11 Jul 2012
AbstractforInfluence of Serum Proteins on Conformation of Prostate-Specific Antigen | References | PDF (3 MB)
  • 82 Views
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Article
Molecular Dynamics of Anthraquinone DNA Intercalators with Polyethylene Glycol Side Chains
Shirlene Jackson Beckford & Dabney W. Dixon
Pages: 1065-1080
Published online: 11 Jul 2012
AbstractforMolecular Dynamics of Anthraquinone DNA Intercalators with Polyethylene Glycol Side Chains | References | PDF (3.8 MB)
  • 176 Views
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Article
Predicting Nucleosome Positions in Yeast: Using the Absolute Frequency
Zhiqian Zhang, Yusen Zhang & Ivan Gutman
Pages: 1081-1088
Published online: 11 Jul 2012
AbstractforPredicting Nucleosome Positions in Yeast: Using the Absolute Frequency | References | PDF (1.4 MB)
  • 190 Views
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A Letter on an Algorithum

A Novel Algorithm for Identification of Activated Cryptic 5′ Splice Sites
Kun-Nan Tsai, Guang-Wu Chen & Calvin Yu-Chian Chen
Pages: 1089-1099
Published online: 11 Jul 2012
First Page PreviewforA Novel Algorithm for Identification of Activated Cryptic 5′ Splice Sites | References | PDF (1.4 MB)
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