Journal of Biomolecular Structure and Dynamics, Volume 29, Issue 1 (2011)

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Journal of Biomolecular Structure and Dynamics, Volume 29, Issue 1 (2011)

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Original Articles

Article
Thermodynamic Heuristics with Case-Based Reasoning: Combined Insights for RNA Pseudoknot Secondary Structure
Ra'ed M. Al-Khatib, Nur' Aini Abdul Rashid & Rosni Abdullah
Pages: 1-26
Published online: 15 May 2012
AbstractforThermodynamic Heuristics with Case-Based Reasoning: Combined Insights for RNA Pseudoknot Secondary Structure | References | PDF (1.7 MB)
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Article
Mechanism of Antisense Oligonucleotide Interaction with Natural RNAs
R. Serikov, V. Petyuk, Yu. Vorobijev, V. Koval, O. Fedorova, V. Vlassov & M. Zenkova
Pages: 27-50
Published online: 11 Jul 2012
AbstractforMechanism of Antisense Oligonucleotide Interaction with Natural RNAs | References | PDF (3.1 MB)
  • 418 Views
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Open Access
Article
Intramolecular CH…O Hydrogen Bonds in the AI and BI DNA-like Conformers of Canonical Nucleosides and their Watson-Crick Pairs. Quantum Chemical and AIM Analysis
Yevgen P. Yurenko, Roman O. Zhurakivsky, Svitlana P. Samijlenko & Dmytro M. Hovorun
Pages: 51-65
Published online: 15 May 2012
AbstractforIntramolecular CH…O Hydrogen Bonds in the AI and BI DNA-like Conformers of Canonical Nucleosides and their Watson-Crick Pairs. Quantum Chemical and AIM Analysis | References | PDF (1.5 MB)
  • 182 Views
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Article
From Lipid Transport to Oxygenation of Aromatic Compounds: Evolution within the Bet v1-like Superfamily
Joydeep Chakraborty & Tapan K. Dutta
Pages: 67-78
Published online: 15 May 2012
AbstractforFrom Lipid Transport to Oxygenation of Aromatic Compounds: Evolution within the Bet v1-like Superfamily | References | PDF (4.5 MB)
  • 142 Views
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Article
Geometric Parameters Defining the Structure of Proteins—Relation to Early-Stage Folding Step
W. Jurkowski, T. Kulaga & I. Roterman
Pages: 79-104
Published online: 15 May 2012
AbstractforGeometric Parameters Defining the Structure of Proteins—Relation to Early-Stage Folding Step | References | PDF (6.9 MB)
  • 40 Views
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Article
An Analysis of the Influence of Protein Intrinsic Dynamical Properties on its Thermal Unfolding Behavior
Ji Guo Su, Xian Jin Xu, Chun Hua Li, Wei Zu Chen & Cun Xin Wang
Pages: 105-121
Published online: 15 May 2012
AbstractforAn Analysis of the Influence of Protein Intrinsic Dynamical Properties on its Thermal Unfolding Behavior | References | PDF (3.2 MB)
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Article
Molecular Dynamics and Docking Studies on Cardiac Troponin C
Jayson F. Varughese & Yumin Li
Pages: 123-135
Published online: 15 May 2012
AbstractforMolecular Dynamics and Docking Studies on Cardiac Troponin C | References | PDF (1.1 MB)
  • 129 Views
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Article
Studies on Adaptability of Binding Residues Flap Region of TMC-114 Resistance HIV-1 Protease Mutants
Rituraj Purohit, Vidya Rajendran & Rao Sethumadhavan
Pages: 137-152
Published online: 15 May 2012
AbstractforStudies on Adaptability of Binding Residues Flap Region of TMC-114 Resistance HIV-1 Protease Mutants | Full Text | References | PDF (4.8 MB)
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Article
Biphasic Association of T7 RNA Polymerase and a Nucleotide Analogue, Cibacron Blue as a Model to Understand the Role of Initiating Nucleotide in the Mechanism of Enzyme Action
Sudipta Pal, Mili Das, Rahul Banerjee & Dipak Dasgupta
Pages: 153-164
Published online: 15 May 2012
AbstractforBiphasic Association of T7 RNA Polymerase and a Nucleotide Analogue, Cibacron Blue as a Model to Understand the Role of Initiating Nucleotide in the Mechanism of Enzyme Action | Full Text | References | PDF (1.7 MB)
  • 121 Views
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Article
Pharmacophore Modeling and Hybrid Virtual Screening for the Discovery of Novel IκB Kinase 2 (IKK2) Inhibitors
Huan-Zhang Xie, Ling-Yun Liu, Ji-Xia Ren, Jian-Ping Zhou, Ren-Lin Zheng, Lin-Li Li & Sheng-Yong Yang
Pages: 165-179
Published online: 15 May 2012
AbstractforPharmacophore Modeling and Hybrid Virtual Screening for the Discovery of Novel IκB Kinase 2 (IKK2) Inhibitors | References | PDF (3.1 MB)
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Article
Investigations with Spectroscopy, Zeta Potential and Molecular Modeling of the Non-Cooperative Behaviour Between Cyclophosphamide Hydrochloride and Aspirin upon Interaction with Human Serum Albumin: Binary and Ternary Systems from the View Point of Multi-Drug Therapy
Zahra Omidvar, Kazem Parivar, Hamideh Sanee, Zeinab Amiri-Tehranizadeh, Ali Baratian, Mohammad Reza Saberi, Ahmad Asoodeh & Jamshidkhan Chamani
Pages: 181-206
Published online: 15 May 2012
AbstractforInvestigations with Spectroscopy, Zeta Potential and Molecular Modeling of the Non-Cooperative Behaviour Between Cyclophosphamide Hydrochloride and Aspirin upon Interaction with Human Serum Albumin: Binary and Ternary Systems from the View Point of Multi-Drug Therapy | References | PDF (2.1 MB)
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Article
Docking Studies on the Binding of Quinoline Derivatives and Hematin to Plasmodium Falciparum Lactate Dehydrogenase
Wilian A. Cortopassi, Aline A. Oliveira, Ana P. Guimarães, Magdalena N. Rennó, Antoniana U. Krettli & Tanos C.C. França
Pages: 207-218
Published online: 15 May 2012
AbstractforDocking Studies on the Binding of Quinoline Derivatives and Hematin to Plasmodium Falciparum Lactate Dehydrogenase | References | PDF (3.4 MB)
  • 202 Views
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Article
BetaDock: Shape-Priority Docking Method Based on Beta-Complex
Deok-Soo Kim, Chong-Min Kim, Chung-In Won, Jae-Kwan Kim, Joonghyun Ryu, Youngsong Cho, Changhee Lee & Jong Bhak
Pages: 219-242
Published online: 15 May 2012
AbstractforBetaDock: Shape-Priority Docking Method Based on Beta-Complex | References | PDF (4.1 MB)
  • 130 Views
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News Article

Article
iSMART: An Integrated Cloud Computing Web Server for Traditional Chinese Medicine for Online Virtual Screening, de novo Evolution and Drug Design
Kai-Wei Chang, Tsung-Ying Tsai, Kuan-Chung Chen, Shun-Chieh Yang, Hung-Jin Huang, Tung-Ti Chang, Mao-Feng Sun, Hsin-Yi Chen, Fuu-Jen Tsai & Calvin Yu-Chian Chen
Pages: 243-250
Published online: 11 Jul 2012
First Page PreviewforiSMART: An Integrated Cloud Computing Web Server for Traditional Chinese Medicine for Online Virtual Screening, de novo Evolution and Drug Design | References | PDF (2.7 MB)
  • 1157 Views
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