Issue August 2011

category image Volume 29
No. 1 (p 1-250)
August 2011
ISSN 0739-1102

Thermodynamic Heuristics with Case-Based Reasoning: Combined Insights for RNA Pseudoknot Secondary Structure

Ra’ed M. Al-Khatib, Nur’Aini Abdul Rashid, Rosni Abdullah

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Open Access
Mechanism of Antisense Oligonucleotide Interaction with Natural RNAs

R. Serikov, V. Petyuk, Yu. Vorobijev, V. Koval, O. Fedorova, V. Vlassov, M. Zenkova

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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

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From Lipid Transport to Oxygenation of Aromatic Compounds: Evolution within the Bet v1-like Superfamily

Joydeep Chakraborty, Tapan K. Dutta

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Geometric Parameters Defining the Structure of Proteins – Relation to Early-Stage Folding Step

W. Jurkowski, T. Kułaga, I. Roterman

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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 Wang1∗

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Molecular Dynamics and Docking Studies on Cardiac Troponin C

Jayson F. Varughese, Yumin Li

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Studies on Adaptability of Binding Residues and Flap Region of TMC-114 Resistance HIV-1 Protease Mutants

Rituraj Purohit, Vidya Rajendran, Rao Sethumadhavan

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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 Dasgupta1∗

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Pharmacophore Modeling and Hybrid Virtual Screening for the Discovery of Novel IκB Kinase 2 (IKK2) Inhibitors

Huan-Zhang Xie1,2+, Ling-Yun Liu1+, Ji-Xia Ren1+, Jian-Ping Zhou, Ren-Lin Zheng, Lin-Li Li, Sheng-Yong Yang

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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 Multi-drug Therapy

Zahra Omidvar, Kazem Parivar, Hamideh Sanee, Zeinab Amiri-Tehranizadeh, Ali Baratian, Mohammad Reza Saberi, Ahmad Asoodeh, Jamshidkhan Chamani

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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

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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

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Open Access
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

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jbsd_june_2011_coverband.gifJBSD Volume 29, Issue #1
August 2011