Journal of Biomolecular Structure and Dynamics, Volume 35, Issue 16 (2017)

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Journal of Biomolecular Structure and Dynamics, Volume 35, Issue 16 (2017)

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Research Articles

Article
Structure-based screening, ADMET profiling, and molecular dynamic studies on mGlu2 receptor for identification of newer antiepileptic agents
Ruchi Malik, Pakhuri Mehta, Shubham Srivastava, Bhanwar Singh Choudhary & Manish Sharma
Pages: 3433-3448
Published online: 01 Dec 2016
AbstractforStructure-based screening, ADMET profiling, and molecular dynamic studies on mGlu2 receptor for identification of newer antiepileptic agents | Full Text | References | PDF (6 MB) | Supplemental
  • 279 Views
  • 14 CrossRef citations
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Article
Nanoparticle Fullerene (C60) demonstrated stable binding with antibacterial potential towards probable targets of drug resistant Salmonella typhi – a computational perspective and in vitro investigation
Sinosh Skariyachan, Asma Parveen & Shruti Garka
Pages: 3449-3468
Published online: 23 Nov 2016
AbstractforNanoparticle Fullerene (C60) demonstrated stable binding with antibacterial potential towards probable targets of drug resistant Salmonella typhi – a computational perspective and in vitro investigation | Full Text | References | PDF (5.2 MB) | Supplemental
  • 252 Views
  • 21 CrossRef citations
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Article
The conformational feasibility for the formation of reaching dimer in ASV and HIV integrase: a molecular dynamics study
Sangeetha Balasubramanian, Muthukumaran Rajagopalan, Ravi Shankar Bojja, Anna Marie Skalka, Mark D. Andrake & Amutha Ramaswamy
Pages: 3469-3485
Published online: 28 Nov 2016
AbstractforThe conformational feasibility for the formation of reaching dimer in ASV and HIV integrase: a molecular dynamics study | Full Text | References | PDF (4.1 MB) | Supplemental
  • 153 Views
  • 1 CrossRef citations
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Article
Investigation of the binding interactions of Bisdemethoxycurcumin, Diacetylcurcumin and Diacetylbisdemethoxycurcumin with bovine α-lactalbumin by experimental and theoretical analysis
Fakhrossadat Mohammadi & Marzieh Moeeni
Pages: 3486-3498
Published online: 01 Dec 2016
AbstractforInvestigation of the binding interactions of Bisdemethoxycurcumin, Diacetylcurcumin and Diacetylbisdemethoxycurcumin with bovine α-lactalbumin by experimental and theoretical analysis | Full Text | References | PDF (3.8 MB) | Supplemental
  • 166 Views
  • 9 CrossRef citations
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Article
Folic acid delivery by serum proteins: loading efficacy and protein morphology
P. Bourassa, P. Chanphai & H.A. Tajmir-Riahi
Pages: 3499-3506
Published online: 25 Nov 2016
AbstractforFolic acid delivery by serum proteins: loading efficacy and protein morphology | Full Text | References | PDF (1.7 MB)
  • 482 Views
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Article
Probing the binding mechanism of mercaptoguanine derivatives as inhibitors of HPPK by docking and molecular dynamics simulations
Parthiban Marimuthu, Kalaimathy Singaravelu & Vigneshwaran Namasivayam
Pages: 3507-3521
Published online: 30 Nov 2016
AbstractforProbing the binding mechanism of mercaptoguanine derivatives as inhibitors of HPPK by docking and molecular dynamics simulations | Full Text | References | PDF (5.3 MB) | Supplemental
  • 212 Views
  • 11 CrossRef citations
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Article
Conformer and pharmacophore based identification of peptidomimetic inhibitors of chikungunya virus nsP2 protease
Sonali Dhindwal, Pooja Kesari, Harvijay Singh, Pravindra Kumar & Shailly Tomar
Pages: 3522-3539
Published online: 02 Dec 2016
AbstractforConformer and pharmacophore based identification of peptidomimetic inhibitors of chikungunya virus nsP2 protease | Full Text | References | PDF (5.2 MB) | Supplemental
  • 752 Views
  • 15 CrossRef citations
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Article
Investigating the effect of charged amino acids on DNA conformation in EcoRI–DNA complex: a molecular dynamics simulation study
Sreelakshmi Ramachandrakurup, Sumanth Ammapalli & Vigneshwar Ramakrishnan
Pages: 3540-3554
Published online: 09 Dec 2016
AbstractforInvestigating the effect of charged amino acids on DNA conformation in EcoRI–DNA complex: a molecular dynamics simulation study | Full Text | References | PDF (5.9 MB) | Supplemental
  • 182 Views
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Article
New potential inhibitors of mTOR: a computational investigation integrating molecular docking, virtual screening and molecular dynamics simulation
Roger Kist & Rafael Andrade Caceres
Pages: 3555-3568
Published online: 09 Dec 2016
AbstractforNew potential inhibitors of mTOR: a computational investigation integrating molecular docking, virtual screening and molecular dynamics simulation | Full Text | References | PDF (4 MB)
  • 509 Views
  • 12 CrossRef citations
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Article
Identification of B-cell Epitope of Leishmania donovani and its application in diagnosis of visceral leishmaniasis
Fauzia Jamal, Manas Ranjan Dikhit, Manish K. Singh, Pushkar Shivam, Sarita Kumari, Sinha Pushpanjali, Amit K. Dubey, Prakash Kumar, Shyam Narayan, Anil K. Gupta, Krishna Pandey, V.N.R. Das, Sanjiva Bimal, Pradeep Das & Shubhankar K. Singh
Pages: 3569-3580
Published online: 26 Dec 2016
AbstractforIdentification of B-cell Epitope of Leishmania donovani and its application in diagnosis of visceral leishmaniasis | Full Text | References | PDF (3.7 MB) | Supplemental
  • 333 Views
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Letter to the Editor

Letter
Interaction of stattic, a STAT3 inhibitor with human serum albumin: spectroscopic and computational study
Ida Syazwani M. Affandi, Wei Qi Lee, Shevin R. Feroz, Saharuddin B. Mohamad & Saad Tayyab
Pages: 3581-3590
Published online: 26 Dec 2016
First Page PreviewforInteraction of stattic, a STAT3 inhibitor with human serum albumin: spectroscopic and computational study | Full Text | References | PDF (1.6 MB)
  • 177 Views
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Research Articles

Article
Effect of glycosylation on hydration behavior at the ice-binding surface of the Ocean Pout type III antifreeze protein: a molecular dynamics simulation
Swagata Halder & Chaitali Mukhopadhyay
Pages: 3591-3604
Published online: 26 Dec 2016
AbstractforEffect of glycosylation on hydration behavior at the ice-binding surface of the Ocean Pout type III antifreeze protein: a molecular dynamics simulation | Full Text | References | PDF (3.3 MB) | Supplemental
  • 211 Views
  • 1 CrossRef citations
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Letter to the Editor

Letter
Investigation of the binding interaction between estazolam and bovine serum albumin: multi-spectroscopic methods and molecular docking technique
Yin-Fei Zhang, Kai-Li Zhou, Yan-Yue Lou, Dong-qi Pan & Jie-Hua Shi
Pages: 3605-3614
Published online: 23 Dec 2016
First Page PreviewforInvestigation of the binding interaction between estazolam and bovine serum albumin: multi-spectroscopic methods and molecular docking technique | Full Text | References | PDF (2.9 MB) | Supplemental
  • 408 Views
  • 110 CrossRef citations
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Research Articles

Article
An Investigation on intermolecular interaction between Bis(indolyl)methane and HSA and BSA using multi technique methods
Hamid Dezhampanah & Roghaye Firouzi
Pages: 3615-3626
Published online: 28 Dec 2016
AbstractforAn Investigation on intermolecular interaction between Bis(indolyl)methane and HSA and BSA using multi technique methods | Full Text | References | PDF (2.9 MB)
  • 187 Views
  • 24 CrossRef citations
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Article
Understanding the conformational flexibility and electrostatic properties of curcumin in the active site of rhAChE via molecular docking, molecular dynamics, and charge density analysis
Kandasamy Saravanan, Chinnasamy Kalaiarasi & Poomani Kumaradhas
Pages: 3627-3647
Published online: 04 Jan 2017
AbstractforUnderstanding the conformational flexibility and electrostatic properties of curcumin in the active site of rhAChE via molecular docking, molecular dynamics, and charge density analysis | Full Text | References | PDF (9.4 MB) | Supplemental
  • 332 Views
  • 24 CrossRef citations
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Article
Multi-spectroscopic and molecular modeling studies of interaction between two different angiotensin I converting enzyme inhibitory peptides from gluten hydrolysate and human serum albumin
Reza Assaran Darban, Behzad Shareghi, Ahmad Asoodeh & Jamshidkhan Chamani
Pages: 3648-3662
Published online: 26 Dec 2016
AbstractforMulti-spectroscopic and molecular modeling studies of interaction between two different angiotensin I converting enzyme inhibitory peptides from gluten hydrolysate and human serum albumin | Full Text | References | PDF (1.7 MB)
  • 313 Views
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Erratum

Correction
Erratum
Page: (i)
Published online: 17 Feb 2017
CitationforErratum | Full Text | PDF (109 KB)
  • 383 Views
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