Journal of Biomolecular Structure and Dynamics, Volume 33, Issue 2 (2015)

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Journal of Biomolecular Structure and Dynamics, Volume 33, Issue 2 (2015)

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Original Articles

Article
Structural insights into the interactions of xpt riboswitch with novel guanine analogues: a molecular dynamics simulation study
Swapan S. Jain, Uddhavesh B. Sonavane, Mallikarjunachari V.N. Uppuladinne, Emily C. McLaughlin, Weiqing Wang, Sheneil Black & Rajendra R. Joshi
Pages: 234-243
Published online: 03 Jan 2014
AbstractforStructural insights into the interactions of xpt riboswitch with novel guanine analogues: a molecular dynamics simulation study | Full Text | References | PDF (597.8 KB) | Supplemental
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Article
Differential structural status of the RNA counterpart of an undecamer quasi-palindromic DNA sequence present in LCR of human β-globin gene cluster
Mahima Kaushik & Shrikant Kukreti
Pages: 244-252
Published online: 27 Jan 2014
AbstractforDifferential structural status of the RNA counterpart of an undecamer quasi-palindromic DNA sequence present in LCR of human β-globin gene cluster | Full Text | References | PDF (396.5 KB)
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Article
Recognition rules for binding of Zn-Cys2His2 transcription factors to operator DNA
R.V. Polozov, V.S. Sivozhelezov, Yu.N. Chirgadze & V.V. Ivanov
Pages: 253-266
Published online: 27 Jan 2014
AbstractforRecognition rules for binding of Zn-Cys2His2 transcription factors to operator DNA | Full Text | References | PDF (1.7 MB)
  • 148 Views
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Article
Conformations of DNA in the presence of nanomole concentrations of Co+2 ions and mezo-tetra(4-N-oxyethylpiridil) porphyrin
Jamlet Monaselidze, Maya Gorgoshidze, David Khachidze, Maya Kiladze, Vasil Bregadze, Eugene Kiziria, Hakob Margaryan & Nune Hakobyan
Pages: 267-273
Published online: 15 Jan 2014
AbstractforConformations of DNA in the presence of nanomole concentrations of Co+2 ions and mezo-tetra(4-N-oxyethylpiridil) porphyrin | Full Text | References | PDF (264.2 KB)
  • 176 Views
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Article
Synthesis, CMC determination, and intercalative binding interaction with nucleic acid of a surfactant–copper(II) complex with modified phenanthroline ligand (dpq)
Karuppiah Nagaraj, Subramanian Ambika & Sankaralingam Arunachalam
Pages: 274-288
Published online: 28 Jan 2014
AbstractforSynthesis, CMC determination, and intercalative binding interaction with nucleic acid of a surfactant–copper(II) complex with modified phenanthroline ligand (dpq) | Full Text | References | PDF (733.9 KB)
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Article
The importance of fitting in: conformational preference of selenium 2′ modifications in nucleosides and helical structures
R. Adam Thompson, Alexander M. Spring, Jia Sheng, Zhen Huang & Markus W. Germann
Pages: 289-297
Published online: 21 Feb 2014
AbstractforThe importance of fitting in: conformational preference of selenium 2′ modifications in nucleosides and helical structures | Full Text | References | PDF (333.7 KB) | Supplemental
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Review Article

Review Article
Adaptability in protein structures: structural dynamics and implications in ligand design
Atanu Maity, Sarmistha Majumdar, Prerna Priya, Pallavi De, Sudipto Saha & Shubhra Ghosh Dastidar
Pages: 298-321
Published online: 16 Jan 2014
AbstractforAdaptability in protein structures: structural dynamics and implications in ligand design | Full Text | References | PDF (733.3 KB)
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Original Articles

Article
Structural and vibrational spectroscopic elucidation of sulpiride in solid state
Serda Kecel-Gunduz, Sefa Celik, Aysen E. Ozel & Sevim Akyuz
Pages: 322-343
Published online: 15 Jan 2014
AbstractforStructural and vibrational spectroscopic elucidation of sulpiride in solid state | Full Text | References | PDF (1.2 MB)
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Article
3D-QSAR studies and shape based virtual screening for identification of novel hits to inhibit MbtA in Mycobacterium tuberculosis
Lakshmi Maganti, OSDD Consortium & Nanda Ghoshal
Pages: 344-364
Published online: 13 Jan 2014
Abstractfor3D-QSAR studies and shape based virtual screening for identification of novel hits to inhibit MbtA in Mycobacterium tuberculosis | Full Text | References | PDF (1.3 MB) | Supplemental
  • 305 Views
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Article
Strong nucleosomes reside in meiotic centromeres of C. elegans
Bilal Salih & Edward N. Trifonov
Pages: 365-373
Published online: 06 Mar 2014
AbstractforStrong nucleosomes reside in meiotic centromeres of C. elegans | Full Text | References | PDF (749.5 KB)
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Article
Energy-optimised pharmacophore approach to identify potential hotspots during inhibition of Class II HDAC isoforms
Shabir Ahmad Ganai, Karthi Shanmugam & Vijayalakshmi Mahadevan
Pages: 374-387
Published online: 27 Jan 2014
AbstractforEnergy-optimised pharmacophore approach to identify potential hotspots during inhibition of Class II HDAC isoforms | Full Text | References | PDF (819.2 KB)
  • 213 Views
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Article
The full electron structure of the FKBP12/FK506 complex
Allison M. Rossetto, Wenjin Zhou, Xiaodong Pang & Linxiang Zhou
Pages: 388-394
Published online: 28 Jan 2014
AbstractforThe full electron structure of the FKBP12/FK506 complex | Full Text | References | PDF (226.3 KB)
  • 154 Views
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Article
High-resolution crystal structure of the recombinant diheme cytochrome c from Shewanella baltica (OS155)
Matteo De March, Giulia Di Rocco, Neal Hickey & Silvano Geremia
Pages: 395-403
Published online: 21 Feb 2014
AbstractforHigh-resolution crystal structure of the recombinant diheme cytochrome c from Shewanella baltica (OS155) | Full Text | References | PDF (446.6 KB)
  • 173 Views
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Article
Study of orotidine 5′-monophosphate decarboxylase in complex with the top three OMP, BMP, and PMP ligands by molecular dynamics simulation
Shirin Jamshidi, Seifollah Jalili & Hashem Rafii-Tabar
Pages: 404-417
Published online: 21 Feb 2014
AbstractforStudy of orotidine 5′-monophosphate decarboxylase in complex with the top three OMP, BMP, and PMP ligands by molecular dynamics simulation | Full Text | References | PDF (1.2 MB) | Supplemental
  • 193 Views
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Article
Structural insight into HIV-1 reverse transcription initiation in MAL-like templates (CRF01_AE, subtype G and CRF02_AG)
Irina N. Kolomiets, Margarita I. Zarudnaya, Andriy L. Potyahaylo & Dmytro M. Hovorun
Pages: 418-433
Published online: 21 Feb 2014
AbstractforStructural insight into HIV-1 reverse transcription initiation in MAL-like templates (CRF01_AE, subtype G and CRF02_AG) | Full Text | References | PDF (701.1 KB) | Supplemental
  • 123 Views
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Article
Association of antitumor antibiotic Mithramycin with Mn2+ and the potential cellular targets of Mithramycin after association with Mn2+
Shreyasi Dutta, Shibojyoti Lahiri, Amrita Banerjee, Shriya Saha & Dipak Dasgupta
Pages: 434-446
Published online: 21 Feb 2014
AbstractforAssociation of antitumor antibiotic Mithramycin with Mn2+ and the potential cellular targets of Mithramycin after association with Mn2+ | Full Text | References | PDF (493.9 KB) | Supplemental
  • 145 Views
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Article
Mobility and temperature resistance of trehalose mycolates as key characteristics of the outer membrane of Mycobacterium tuberculosis
Federica Migliardo, Christophe Salmeron & Nicolas Bayan
Pages: 447-459
Published online: 06 Mar 2014
AbstractforMobility and temperature resistance of trehalose mycolates as key characteristics of the outer membrane of Mycobacterium tuberculosis | Full Text | References | PDF (670.1 KB)
  • 181 Views
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