Journal of Biomolecular Structure and Dynamics, Volume 35, Issue 7 (2017)

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Journal of Biomolecular Structure and Dynamics, Volume 35, Issue 7 (2017)

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Research Articles

Article
Genome-wide identification and functional annotation of miRNAs in anti-inflammatory plant and their cross-kingdom regulation in Homo sapiens
Ankita Sharma, Sarika Sahu, Pooja Kumari, Soundhara Rajan Gopi, Rajesh Malhotra & Sagarika Biswas
Pages: 1389-1400
Published online: 29 Jun 2016
AbstractforGenome-wide identification and functional annotation of miRNAs in anti-inflammatory plant and their cross-kingdom regulation in Homo sapiens | Full Text | References | PDF (531 KB)
  • 447 Views
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Letter to the Editor

Letter
Inhibition of Aβ1–42 peptide aggregation using short ss-oligonucleotide as polyions: an in silico approach
Mary Dutta & Venkata Satish Kumar Mattaparthi
Pages: 1401-1406
Published online: 29 Jul 2016
First Page PreviewforInhibition of Aβ1–42 peptide aggregation using short ss-oligonucleotide as polyions: an in silico approach | Full Text | References | PDF (378.9 KB) | Supplemental
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Research Articles

Article
Surfactant-mediated amyloidogenesis behavior of stem bromelain; a biophysical insight
Masihuz Zaman, Syed Mohammad Zakariya, Saima Nusrat, Mohsin Vahid Khan, Atiyatul Qadeer, Mohammad Rehan Ajmal & Rizwan Hasan Khan
Pages: 1407-1419
Published online: 14 Jul 2016
AbstractforSurfactant-mediated amyloidogenesis behavior of stem bromelain; a biophysical insight | Full Text | References | PDF (661.9 KB)
  • 181 Views
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Article
Denatured states of yeast cytochrome c induced by heat and guanidinium chloride are structurally and thermodynamically different
Sobia Zaidi, Md. Anzarul Haque, Shah Ubaid-ullah, Amresh Prakash, Md. Imtaiyaz Hassan, Asimul Islam, Janendra K. Batra & Faizan Ahmad
Pages: 1420-1435
Published online: 06 Jun 2016
AbstractforDenatured states of yeast cytochrome c induced by heat and guanidinium chloride are structurally and thermodynamically different | Full Text | References | PDF (875 KB) | Supplemental
  • 200 Views
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Letter to the Editor

Letter
Quantitative structure–activity relationships (HQSAR, CoMFA, and CoMSIA) studies for COX-2 selective inhibitors
Renan A. Gomes, Giovani L. Genesi, Vinicius G. Maltarollo & Gustavo H. G. Trossini
Pages: 1436-1445
Published online: 02 Aug 2016
First Page PreviewforQuantitative structure–activity relationships (HQSAR, CoMFA, and CoMSIA) studies for COX-2 selective inhibitors | Full Text | References | PDF (415.1 KB) | Supplemental
  • 168 Views
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Research Articles

Article
Homology model, molecular dynamics simulation and novel pyrazole analogs design of Candida albicans CYP450 lanosterol 14 α-demethylase, a target enzyme for antifungal therapy
Sony Jacob K.Swastika Ganguly, Pravin Kumar, Raju Poddar & Anoop Kumar
Pages: 1446-1463
Published online: 02 Aug 2016
AbstractforHomology model, molecular dynamics simulation and novel pyrazole analogs design of Candida albicans CYP450 lanosterol 14 α-demethylase, a target enzyme for antifungal therapy | Full Text | References | PDF (1.9 MB)
  • 474 Views
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Article
Investigations of Takeout proteins’ ligand binding and release mechanism using molecular dynamics simulation
Huijing Zhang, Hui Yu, Xi Zhao, Xiaoguang Liu, Xianli Feng & Xuri Huang
Pages: 1464-1473
Published online: 29 Jul 2016
AbstractforInvestigations of Takeout proteins’ ligand binding and release mechanism using molecular dynamics simulation | Full Text | References | PDF (860.7 KB) | Supplemental
  • 251 Views
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Review Articles

Article
Human dihydrofolate reductase and thymidylate synthase form a complex in vitro and co-localize in normal and cancer cells
Anna Antosiewicz, Adam Jarmuła, Dorota Przybylska, Grażyna Mosieniak, Joanna Szczepanowska, Anna Kowalkowska, Wojciech Rode & Joanna Cieśla
Pages: 1474-1490
Published online: 05 Aug 2016
AbstractforHuman dihydrofolate reductase and thymidylate synthase form a complex in vitro and co-localize in normal and cancer cells | Full Text | References | PDF (760 KB) | Supplemental
  • 411 Views
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Research Articles

Article
The plant alkaloid chelerythrine binds to chromatin, alters H3K9Ac and modulates global gene expression
Amrita Banerjee, Sulagna Sanyal, Shreyasi Dutta, Payal Chakraborty, Prajna Paramita Das, Kuladip Jana, Madavan Vasudevan, Chandrima Das & Dipak Dasgupta
Pages: 1491-1499
Published online: 05 Aug 2016
AbstractforThe plant alkaloid chelerythrine binds to chromatin, alters H3K9Ac and modulates global gene expression | Full Text | References | PDF (404.2 KB) | Supplemental
  • 220 Views
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Article
Comparative thermal unfolding study of psychrophilic and mesophilic subtilisin-like serine proteases by molecular dynamics simulations
Xing Du, Peng Sang, Yuan-Ling Xia, Yi Li, Jing Liang, Shi-Meng Ai, Xing-Lai Ji, Yun-Xin Fu & Shu-Qun Liu
Pages: 1500-1517
Published online: 02 Aug 2016
AbstractforComparative thermal unfolding study of psychrophilic and mesophilic subtilisin-like serine proteases by molecular dynamics simulations | Full Text | References | PDF (1.6 MB) | Supplemental
  • 2112 Views
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Open Access

Letter to the Editor

Letter
Evaluation DNA-/BSA-binding properties of a new europium complex containing 2,9-dimethyl-1,10-phenanthroline
Nafiseh Alfi, Mozhgan Khorasani-Motlagh & Meissam Noroozifar
Pages: 1518-1528
Published online: 11 Aug 2016
First Page PreviewforEvaluation DNA-/BSA-binding properties of a new europium complex containing 2,9-dimethyl-1,10-phenanthroline | Full Text | References | PDF (835.5 KB)
  • 124 Views
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Research Articles

Article
Characterization of interactions of simvastatin, pravastatin, fluvastatin, and pitavastatin with bovine serum albumin: multiple spectroscopic and molecular docking
Jie-Hua Shi, Qi Wang, Dong-Qi Pan, Ting-Ting Liu & Min Jiang
Pages: 1529-1546
Published online: 03 Aug 2016
AbstractforCharacterization of interactions of simvastatin, pravastatin, fluvastatin, and pitavastatin with bovine serum albumin: multiple spectroscopic and molecular docking | Full Text | References | PDF (1.6 MB) | Supplemental
  • 453 Views
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Article
An integrated approach of network-based systems biology, molecular docking, and molecular dynamics approach to unravel the role of existing antiviral molecules against AIDS-associated cancer
Ankur Omer & Poonam Singh
Pages: 1547-1558
Published online: 02 Aug 2016
AbstractforAn integrated approach of network-based systems biology, molecular docking, and molecular dynamics approach to unravel the role of existing antiviral molecules against AIDS-associated cancer | Full Text | References | PDF (1,005.3 KB) | Supplemental
  • 235 Views
  • 6 CrossRef citations
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Letter to the Editor

Letter
A combined NMR and molecular dynamics simulation study to determine the conformational properties of rat/mouse 35-55 myelin oligodendrocyte glycoprotein epitope implicated in the induction of experimental autoimmune encephalomyelitis
Dimitrios Ntountaniotis, Μarianna Vanioti, Golfo G. Kordopati, Tahsin F. Kellici, Konstantinos D. Marousis, Thomas Mavromoustakos, Georgios A. Spyroulias, Simona Golic Grdadolnik & Theodore V. Tselios
Pages: 1559-1567
Published online: 02 Aug 2016
First Page PreviewforA combined NMR and molecular dynamics simulation study to determine the conformational properties of rat/mouse 35-55 myelin oligodendrocyte glycoprotein epitope implicated in the induction of experimental autoimmune encephalomyelitis | Full Text | References | PDF (584.3 KB) | Supplemental
  • 216 Views
  • 3 CrossRef citations
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Letter
Mutations induce conformational changes in folliculin C-terminal domain: possible cause of loss of guanine exchange factor activity and Birt-Hogg-Dubé syndrome
S. Verma, C. Tyagi, S. Goyal, B. Pandey, S. Jamal, A. Singh & A. Grover
Pages: 1568-1573
Published online: 02 Aug 2016
First Page PreviewforMutations induce conformational changes in folliculin C-terminal domain: possible cause of loss of guanine exchange factor activity and Birt-Hogg-Dubé syndrome | Full Text | References | PDF (530.2 KB) | Supplemental
  • 162 Views
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Letter
Mycobacterium tuberculosis H37 Rv1222: structural insight in transcription inhibition
Aayatti Mallick Gupta & Sukhendu Mandal
Pages: 1574-1581
Published online: 02 Aug 2016
First Page PreviewforMycobacterium tuberculosis H37 Rv1222: structural insight in transcription inhibition | Full Text | References | PDF (311.3 KB) | Supplemental
  • 135 Views
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Research Articles

Article
Effect of pH on the stability of hemochromatosis factor E: a combined spectroscopic and molecular dynamics simulation-based study
Parvez Khan, Ashutosh Shandilya, B. Jayaram, Asimul Islam, Faizan Ahmad & Md. Imtaiyaz Hassan
Pages: 1582-1598
Published online: 01 Aug 2016
AbstractforEffect of pH on the stability of hemochromatosis factor E: a combined spectroscopic and molecular dynamics simulation-based study | Full Text | References | PDF (1.4 MB) | Supplemental
  • 254 Views
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Letter to the Editor

Letter
Biological applications of pyrazoline-based half-sandwich ruthenium(III) coordination compounds
Jugal V. Mehta, Sanjay B. Gajera & Mohan N. Patel
Pages: 1599-1607
Published online: 15 Jul 2016
First Page PreviewforBiological applications of pyrazoline-based half-sandwich ruthenium(III) coordination compounds | Full Text | References | PDF (425.2 KB) | Supplemental
  • 210 Views
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Letter
Structural, functional and molecular dynamics analysis of the native and mutated actin to study its effect on congenital myopathy
Faeze Sadat Mohajer, Sepideh Parvizpour, Jafar Razmara, Mahsa Khoshkhooy Yazdi & Mohd Shahir Shamsir
Pages: 1608-1614
Published online: 22 Jul 2016
First Page PreviewforStructural, functional and molecular dynamics analysis of the native and mutated actin to study its effect on congenital myopathy | Full Text | References | PDF (335.9 KB) | Supplemental
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