Journal of Biomolecular Structure and Dynamics, Volume 34, Issue 7 (2016)

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Journal of Biomolecular Structure and Dynamics, Volume 34, Issue 7 (2016)

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Research Articles

Article
Joint interaction of ethidium bromide and methylene blue with DNA. The effect of ionic strength on binding thermodynamic parameters
Poghos O. Vardevanyan, Ara P. Antonyan, Marine A. Parsadanyan, Margarita A. Torosyan & Armen T. Karapetian
Pages: 1377-1382
Published online: 18 Apr 2016
AbstractforJoint interaction of ethidium bromide and methylene blue with DNA. The effect of ionic strength on binding thermodynamic parameters | Full Text | References | PDF (328.4 KB)
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Article
Trinucleotide’s quadruplet symmetries and natural symmetry law of DNA creation ensuing Chargaff’s second parity rule
Marija Rosandić, Ines Vlahović, Matko Glunčić & Vladimir Paar
Pages: 1383-1394
Published online: 04 May 2016
AbstractforTrinucleotide’s quadruplet symmetries and natural symmetry law of DNA creation ensuing Chargaff’s second parity rule | Full Text | References | PDF (782.6 KB) | Supplemental
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Article
Inclusion complexation between baicalein and β-cyclodextrin and the influence of β-cyclodextrin on the binding of baicalein with DNA: a spectroscopic approach
Yousuf Sameena, Sowrirajan Chandrasekaran & Enoch Israel V.M.V.
Pages: 1395-1408
Published online: 30 Nov 2015
AbstractforInclusion complexation between baicalein and β-cyclodextrin and the influence of β-cyclodextrin on the binding of baicalein with DNA: a spectroscopic approach | Full Text | References | PDF (1.6 MB) | Supplemental
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Article
Effect of guanidine hydrochloride and urea on the interaction of 6-thioguanine with human serum albumin: a spectroscopic and molecular dynamics based study
Mohd Ishtikhar, Anam Khan, Chih-Kai Chang, Lilian Tsai-Wei Lin, Steven S.-S. Wang & Rizwan Hasan Khan
Pages: 1409-1420
Published online: 22 Apr 2016
AbstractforEffect of guanidine hydrochloride and urea on the interaction of 6-thioguanine with human serum albumin: a spectroscopic and molecular dynamics based study | Full Text | References | PDF (816.3 KB)
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Article
QSAR analysis of nicotinamidic compounds and design of potential Bruton’s tyrosine kinase (Btk) inhibitors
Letícia Santos-Garcia, Letícia C. Assis, Daniela R. Silva, Teodorico C. Ramalho & Elaine F.F. da Cunha
Pages: 1421-1440
Published online: 11 May 2016
AbstractforQSAR analysis of nicotinamidic compounds and design of potential Bruton’s tyrosine kinase (Btk) inhibitors | Full Text | References | PDF (750.7 KB)
  • 214 Views
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Article
A generative model for protein contact networks
Lorenzo Livi, Enrico Maiorino, Alessandro Giuliani, Antonello Rizzi & Alireza Sadeghian
Pages: 1441-1454
Published online: 21 Apr 2016
AbstractforA generative model for protein contact networks | Full Text | References | PDF (1.3 MB)
  • 310 Views
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Article
Analysis of the binding mode of laulimalide to microtubules: Establishing a laulimalide–tubulin pharmacophore
Cassandra D.M. Churchill, Mariusz Klobukowski & Jack A. Tuszynski
Pages: 1455-1469
Published online: 28 Apr 2016
AbstractforAnalysis of the binding mode of laulimalide to microtubules: Establishing a laulimalide–tubulin pharmacophore | Full Text | References | PDF (818 KB) | Supplemental
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Article
Heterogeneous behavior of metalloproteins toward metal ion binding and selectivity: insights from molecular dynamics studies
Prerana Gogoi, Monika Chandravanshi, Suraj Kumar Mandal, Ambuj Srivastava & Shankar Prasad Kanaujia
Pages: 1470-1485
Published online: 02 Sep 2015
AbstractforHeterogeneous behavior of metalloproteins toward metal ion binding and selectivity: insights from molecular dynamics studies | Full Text | References | PDF (5.4 MB) | Supplemental
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Article
A molecular dynamics study of Beta-Glucosidase B upon small substrate binding
Nur Shima Fadhilah Mazlan & Nurul Bahiyah Ahmad Khairudin
Pages: 1486-1494
Published online: 15 Sep 2015
AbstractforA molecular dynamics study of Beta-Glucosidase B upon small substrate binding | Full Text | References | PDF (4.5 MB)
  • 408 Views
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Article
Spectroscopy and computational studies on the interaction of octyl, dodecyl, and hexadecyl derivatives of anionic and cationic surfactants with adenosine deaminase
Davood Ajloo, Najmeh Mahmoodabadi, Maryam Ghadamgahi & Ali Akbar Saboury
Pages: 1495-1511
Published online: 11 Sep 2015
AbstractforSpectroscopy and computational studies on the interaction of octyl, dodecyl, and hexadecyl derivatives of anionic and cationic surfactants with adenosine deaminase | Full Text | References | PDF (9.1 MB)
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Article
Identification of dengue viral RNA-dependent RNA polymerase inhibitor using computational fragment-based approaches and molecular dynamics study
Shanmugam Anusuya, Devadasan Velmurugan & M. Michael Gromiha
Pages: 1512-1532
Published online: 20 Oct 2015
AbstractforIdentification of dengue viral RNA-dependent RNA polymerase inhibitor using computational fragment-based approaches and molecular dynamics study | Full Text | References | PDF (3.9 MB) | Supplemental
  • 501 Views
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Article
Multimodal approach to explore the pathogenicity of BARD1, ARG 658 CYS, and ILE 738 VAL mutants
Rajan Kumar Choudhary, Vikrant, Quadir M. Siddiqui, Pankaj S. Thapa, Sweta Raikundalia, Nikhil Gadewal, Nachimuthu Senthil Kumar, M.V. Hosur & Ashok K. Varma
Pages: 1533-1544
Published online: 23 Sep 2015
AbstractforMultimodal approach to explore the pathogenicity of BARD1, ARG 658 CYS, and ILE 738 VAL mutants | Full Text | References | PDF (2.3 MB) | Supplemental
  • 232 Views
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Article
Biophysical and molecular docking insight into interaction mechanism and thermal stability of human serum albumin isoforms with a semi-synthetic water-soluble camptothecin analog irinotecan hydrochloride
Mohd. Ishtikhar, Mohsin Vahid Khan, Shawez Khan, Sumit Kumar Chaturvedi, Gamal Badr, Mohamed H. Mahmoud & Rizwan Hasan Khan
Pages: 1545-1560
Published online: 27 Jan 2016
AbstractforBiophysical and molecular docking insight into interaction mechanism and thermal stability of human serum albumin isoforms with a semi-synthetic water-soluble camptothecin analog irinotecan hydrochloride | Full Text | References | PDF (2.8 MB) | Supplemental
  • 386 Views
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Article
Structural insights into the interactions of phorbol ester and bryostatin complexed with protein kinase C: a comparative molecular dynamics simulation study
Patcharapong Thangsunan, Suriya Tateing, Supa Hannongbua & Nuttee Suree
Pages: 1561-1575
Published online: 23 Sep 2015
AbstractforStructural insights into the interactions of phorbol ester and bryostatin complexed with protein kinase C: a comparative molecular dynamics simulation study | Full Text | References | PDF (2 MB)
  • 684 Views
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Article
Thermal stability and unfolding pathways of hyperthermophilic and mesophilic periplasmic binding proteins studied by molecular dynamics simulation
Lin Chen, Xue Li, Ruige Wang, Fengqin Fang, Wanli Yang & Wei Kan
Pages: 1576-1589
Published online: 11 Jan 2016
AbstractforThermal stability and unfolding pathways of hyperthermophilic and mesophilic periplasmic binding proteins studied by molecular dynamics simulation | Full Text | References | PDF (3.8 MB) | Supplemental
  • 220 Views
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Article
Structural and dynamical correlations in PfHGXPRT oligomers: A molecular dynamics simulation study
Tarak Karmakar, Sourav Roy, Hemalatha Balaram & Sundaram Balasubramanian
Pages: 1590-1605
Published online: 25 Apr 2016
AbstractforStructural and dynamical correlations in PfHGXPRT oligomers: A molecular dynamics simulation study | Full Text | References | PDF (1.8 MB) | Supplemental
  • 341 Views
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