Journal of Biomolecular Structure and Dynamics, Volume 36, Issue 1 (2018)

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Journal of Biomolecular Structure and Dynamics, Volume 36, Issue 1 (2018)

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Research Articles

Article
High-throughput thermal stability assessment of DNA hairpins based on high resolution melting
Jing Wang, Ping Dong, Wei Wu, Xiaoming Pan & Xingguo Liang
Pages: 1-13
Published online: 26 Dec 2016
AbstractforHigh-throughput thermal stability assessment of DNA hairpins based on high resolution melting | Full Text | References | PDF (3.3 MB) | Supplemental
  • 546 Views
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Article
Design, synthesis, MTT assay, DNA interaction studies of platinum(II) complexes
Miral V. Lunagariya, Khyati P. Thakor, Bhargav N. Waghela, Foram U. Vaidya, Chadramani Pathak & Mohan N. Patel
Pages: 14-31
Published online: 04 Jan 2017
AbstractforDesign, synthesis, MTT assay, DNA interaction studies of platinum(II) complexes | Full Text | References | PDF (3.4 MB) | Supplemental
  • 368 Views
  • 7 CrossRef citations
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Article
Direct single-molecule observations of DNA unwinding by SV40 large tumor antigen under a negative DNA supercoil state
Shunsuke Takahashi, Shinya Motooka, Shohei Kawasaki, Hirofumi Kurita, Takeshi Mizuno, Shun-ichi Matsuura, Fumio Hanaoka, Akira Mizuno, Masahiko Oshige & Shinji Katsura
Pages: 32-44
Published online: 05 Jan 2017
AbstractforDirect single-molecule observations of DNA unwinding by SV40 large tumor antigen under a negative DNA supercoil state | Full Text | References | PDF (866.9 KB) | Supplemental
  • 286 Views
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Article
Enhanced conformational flexibility of the histone-like (HU) protein from Mycoplasma gallisepticum
Dmitry A. Altukhov, Anna A. Talyzina, Yulia K. Agapova, Anna V. Vlaskina, Dmitry A. Korzhenevskiy, Eduard V. Bocharov, Tatiana V. Rakitina, Vladimir I. Timofeev & Vladimir O. Popov
Pages: 45-53
Published online: 29 Dec 2016
AbstractforEnhanced conformational flexibility of the histone-like (HU) protein from Mycoplasma gallisepticum | Full Text | References | PDF (2.1 MB)
  • 210 Views
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Article
Binding of anti-cardiovascular drug to serum albumin: an insight in the light of spectroscopic and computational approaches
Tajalli Ilm Chandel, Gulam Rabbani, MohsinVahid Khan, Masihuz Zaman, Parvez Alam, Yasser E. Shahein & Rizwan Hasan Khan
Pages: 54-67
Published online: 29 Dec 2016
AbstractforBinding of anti-cardiovascular drug to serum albumin: an insight in the light of spectroscopic and computational approaches | Full Text | References | PDF (1.7 MB) | Supplemental
  • 275 Views
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Article
High temperature and pressure influence the interdomain orientation of Nip7 proteins from P. abyssi and P. furiosus: MD simulations
Kirill E. Medvedev, Nikolay A. Kolchanov & Dmitry A. Afonnikov
Pages: 68-82
Published online: 04 Jan 2017
AbstractforHigh temperature and pressure influence the interdomain orientation of Nip7 proteins from P. abyssi and P. furiosus: MD simulations | Full Text | References | PDF (2.5 MB) | Supplemental
  • 132 Views
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Article
An unexpected way forward: towards a more accurate and rigorous protein-protein binding affinity scoring function by eliminating terms from an already simple scoring function
Jon Swanson & Joseph Audie
Pages: 83-97
Published online: 16 Jan 2017
AbstractforAn unexpected way forward: towards a more accurate and rigorous protein-protein binding affinity scoring function by eliminating terms from an already simple scoring function | Full Text | References | PDF (1 MB) | Supplemental
  • 170 Views
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Article
Structure and interactions of RecA: plasticity revealed by molecular dynamics simulations
Anu V. Chandran, S. Jayanthi & M. Vijayan
Pages: 98-111
Published online: 04 Jan 2017
AbstractforStructure and interactions of RecA: plasticity revealed by molecular dynamics simulations | Full Text | References | PDF (2.6 MB) | Supplemental
  • 166 Views
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Article
Molecular dynamics simulation and molecular docking studies of 1,4-Dihydropyridines as P-glycoprotein’s allosteric inhibitors
Omolbanin Shahraki, Farshid Zargari, Najmeh Edraki, Mehdi Khoshneviszadeh, Omidreza Firuzi & Ramin Miri
Pages: 112-125
Published online: 13 Feb 2017
AbstractforMolecular dynamics simulation and molecular docking studies of 1,4-Dihydropyridines as P-glycoprotein’s allosteric inhibitors | Full Text | References | PDF (6.9 MB) | Supplemental
  • 709 Views
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Article
Atomic insight into designed carbamate-based derivatives as acetylcholine esterase (AChE) inhibitors: a computational study by multiple molecular docking and molecular dynamics simulation
Tecush Mohammadi & Yousef Ghayeb
Pages: 126-138
Published online: 11 Jan 2017
AbstractforAtomic insight into designed carbamate-based derivatives as acetylcholine esterase (AChE) inhibitors: a computational study by multiple molecular docking and molecular dynamics simulation | Full Text | References | PDF (5.7 MB) | Supplemental
  • 417 Views
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Article
Sequence- and structure-based analysis of proteins involved in miRNA biogenesis
Chhaya Sharma & Debasisa Mohanty
Pages: 139-151
Published online: 04 Jan 2017
AbstractforSequence- and structure-based analysis of proteins involved in miRNA biogenesis | Full Text | References | PDF (4.4 MB) | Supplemental
  • 295 Views
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Article
Molecular dynamics analysis of the structural and dynamic properties of the functionally enhanced hepta-variant of mouse 5-aminolevulinate synthase
Insung Na, Shelly DeForte, Bosko M. Stojanovski, Gloria C. Ferreira & Vladimir N. Uversky
Pages: 152-165
Published online: 09 Jan 2017
AbstractforMolecular dynamics analysis of the structural and dynamic properties of the functionally enhanced hepta-variant of mouse 5-aminolevulinate synthase | Full Text | References | PDF (4.2 MB)
  • 249 Views
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Article
Renin inhibition by soyasaponin I: a potent native anti-hypertensive compound
Zeinab Tavassoli, Majid Taghdir & Bijan Ranjbar
Pages: 166-176
Published online: 19 Jan 2017
AbstractforRenin inhibition by soyasaponin I: a potent native anti-hypertensive compound | Full Text | References | PDF (1.3 MB)
  • 231 Views
  • 11 CrossRef citations
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Article
Identification of dual kinase inhibitors of CK2 and GSK3β: combined qualitative and quantitative pharmacophore modeling approach
Triveni Pardhi & Kamala Vasu
Pages: 177-194
Published online: 07 Feb 2017
AbstractforIdentification of dual kinase inhibitors of CK2 and GSK3β: combined qualitative and quantitative pharmacophore modeling approach | Full Text | References | PDF (3 MB) | Supplemental
  • 224 Views
  • 8 CrossRef citations
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Article
Elucidation of the anticancer potential and tubulin isotype-specific interactions of β-sitosterol
Madhura Pradhan, Charu Suri, Sinjan Choudhary, Pradeep Kumar Naik & Manu Lopus
Pages: 195-208
Published online: 29 Dec 2016
AbstractforElucidation of the anticancer potential and tubulin isotype-specific interactions of β-sitosterol | Full Text | References | PDF (7 MB) | Supplemental
  • 271 Views
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Article
Exploring the binding mechanism and kinetics of Piperine with snake venom secretory Phospholipase A2
A. Christian Bharathi, Sistla Srinivas & B. Syed Ibrahim
Pages: 209-220
Published online: 06 Jan 2017
AbstractforExploring the binding mechanism and kinetics of Piperine with snake venom secretory Phospholipase A2 | Full Text | References | PDF (3.4 MB) | Supplemental
  • 170 Views
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Article
Role of structural water for prediction of cation binding sites in apoproteins
L.A. Uroshlev, I.V. Kulakovskiy, N.G. Esipova, V.G. Tumanyan, S.V. Rahmanov & V.J. Makeev
Pages: 221-232
Published online: 22 Jan 2017
AbstractforRole of structural water for prediction of cation binding sites in apoproteins | Full Text | References | PDF (813.2 KB) | Supplemental
  • 168 Views
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Article
Molecular docking, synthesis, and biological evaluation of naphthoquinone as potential novel scaffold for H5N1 neuraminidase inhibition
Garima Sharma, S. Vasanth Kumar & Habibah A. Wahab
Pages: 233-242
Published online: 01 Feb 2017
AbstractforMolecular docking, synthesis, and biological evaluation of naphthoquinone as potential novel scaffold for H5N1 neuraminidase inhibition | Full Text | References | PDF (2.2 MB)
  • 267 Views
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Article
Investigating the ion dependence of the first unfolding step of GTPase-Associating Center ribosomal RNA
Hamed S. Hayatshahi, Christina Bergonzo & Thomas E. Cheatham III
Pages: 243-253
Published online: 13 Apr 2017
AbstractforInvestigating the ion dependence of the first unfolding step of GTPase-Associating Center ribosomal RNA | Full Text | References | PDF (1.9 MB) | Supplemental
  • 1011 Views
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Open Access
Article
Interaction of Prussian blue nanoparticles with bovine serum albumin: a multi-spectroscopic approach
Hongyu Zhou, Xin Shi, Yuanjie Fan, Zhiying He, Wei Gu, Ling Ye & Fangang Meng
Pages: 254-261
Published online: 06 Jan 2017
AbstractforInteraction of Prussian blue nanoparticles with bovine serum albumin: a multi-spectroscopic approach | Full Text | References | PDF (794.4 KB)
  • 383 Views
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Article
Computational analysis of BACE1-ligand complex crystal structures and linear discriminant analysis for identification of BACE1 inhibitors with anti P-glycoprotein binding property
Prabu Manoharan, Kiranmai Chennoju & Nanda Ghoshal
Pages: 262-276
Published online: 12 Jan 2017
AbstractforComputational analysis of BACE1-ligand complex crystal structures and linear discriminant analysis for identification of BACE1 inhibitors with anti P-glycoprotein binding property | Full Text | References | PDF (3.6 MB) | Supplemental
  • 280 Views
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Erratum

Correction
Erratum
Page: 277
Published online: 05 Mar 2017
CitationforErratum | Full Text | PDF (107.7 KB)
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Free Access

Corrigendum

Correction
Corrigendum
Page: 278
Published online: 12 Apr 2017
CitationforCorrigendum | Full Text | PDF (107.1 KB)
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Free Access

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