Journal of Biomolecular Structure and Dynamics, Volume 33, Issue 3 (2015)

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Journal of Biomolecular Structure and Dynamics, Volume 33, Issue 3 (2015)

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Articles

Article
Ebola virus envelope glycoprotein derived peptide in human Furin-bound state: computational studies
I. Olaposi Omotuyi
Pages: 461-470
Published online: 26 Nov 2014
AbstractforEbola virus envelope glycoprotein derived peptide in human Furin-bound state: computational studies | Full Text | References | PDF (8.9 MB)
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Article
Computational design of Tryprostatin-A derivatives as novel αβ-tubulin inhibitors
N. Fani, A.K. Bordbar, Y. Ghayeb & S. Sepehri
Pages: 471-486
Published online: 10 Mar 2014
AbstractforComputational design of Tryprostatin-A derivatives as novel αβ-tubulin inhibitors | Full Text | References | PDF (2 MB)
  • 187 Views
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Article
A new insight into mushroom tyrosinase inhibitors: docking, pharmacophore-based virtual screening, and molecular modeling studies
Kowsar Bagherzadeh, Faezeh Shirgahi Talari, Amirhossein Sharifi, Mohammad Reza Ganjali, Ali Akbar Saboury & Massoud Amanlou
Pages: 487-501
Published online: 06 Mar 2014
AbstractforA new insight into mushroom tyrosinase inhibitors: docking, pharmacophore-based virtual screening, and molecular modeling studies | Full Text | References | PDF (1.2 MB)
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Article
The effect of structural parameters and positive charge distance on the interaction free energy of antimicrobial peptides with membrane surface
Mohammad Mehdi Ghahremanpour & Soroush Sardari
Pages: 502-512
Published online: 12 Mar 2014
AbstractforThe effect of structural parameters and positive charge distance on the interaction free energy of antimicrobial peptides with membrane surface | Full Text | References | PDF (569.4 KB)
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Article
Binding site identification of metformin to human serum albumin and glycated human serum albumin by spectroscopic and molecular modeling techniques: a comparison study
Elaheh Rahnama, Maryam Mahmoodian-Moghaddam, Sabra Khorsand-Ahmadi, Mohammad Reza Saberi & Jamshidkhan Chamani
Pages: 513-533
Published online: 10 Apr 2014
AbstractforBinding site identification of metformin to human serum albumin and glycated human serum albumin by spectroscopic and molecular modeling techniques: a comparison study | Full Text | References | PDF (767.2 KB)
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Article
Conservation of inter-residue interactions and prediction of folding rates of domain repeats
Rajathei David Mary, Mani K Saravanan & Samuel Selvaraj
Pages: 534-551
Published online: 07 Apr 2014
AbstractforConservation of inter-residue interactions and prediction of folding rates of domain repeats | Full Text | References | PDF (857 KB)
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Article
Analysis of dihedral angle preferences for alanine and glycine residues in alpha and beta transmembrane regions
K.M. Saravanan & S. Krishnaswamy
Pages: 552-562
Published online: 13 Mar 2014
AbstractforAnalysis of dihedral angle preferences for alanine and glycine residues in alpha and beta transmembrane regions | Full Text | References | PDF (593.9 KB)
  • 287 Views
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Article
Molecular docking of different inhibitors and activators to butyrylcholinesterase
Shyh-Ying Chiou, Tzu-Ting Weng, Gin-Zen Lin, Ren-Jie Lu, Shuo-Yung Jian & Gialih Lin
Pages: 563-572
Published online: 13 Mar 2014
AbstractforMolecular docking of different inhibitors and activators to butyrylcholinesterase | Full Text | References | PDF (876 KB)
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Article
In silico thermodynamics stability change analysis involved in BH4 responsive mutations in phenylalanine hydroxylase: QM/MM and MD simulations analysis
Nidhi Chadha, Anjani K. Tiwari, Vikas Kumar, Marilyn D. Milton & Anil K. Mishra
Pages: 573-583
Published online: 17 Mar 2014
AbstractforIn silico thermodynamics stability change analysis involved in BH4 responsive mutations in phenylalanine hydroxylase: QM/MM and MD simulations analysis | Full Text | References | PDF (619.2 KB)
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Original Articles

Article
How does the protein environment optimize the thermodynamics of thiol sulfenylation? Insights from model systems to QM/MM calculations on human 2-Cys peroxiredoxin
Julianna Oláh, Laura van Bergen, Frank De Proft & Goedele Roos
Pages: 584-596
Published online: 24 Apr 2014
AbstractforHow does the protein environment optimize the thermodynamics of thiol sulfenylation? Insights from model systems to QM/MM calculations on human 2-Cys peroxiredoxin | Full Text | References | PDF (544.7 KB) | Supplemental
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Articles

Article
The role of primary sequence in helical control compared across short α- and β3-peptides
Danielle A. Guarracino, Anginelle M. Alabanza, Camille T. Robertson & Sanjna S. Sanghvi
Pages: 597-605
Published online: 13 Mar 2014
AbstractforThe role of primary sequence in helical control compared across short α- and β3-peptides | Full Text | References | PDF (540.7 KB)
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Article
Structural basis of Bacillus anthracis MoxXT disruption and the modulation of MoxT ribonuclease activity by rationally designed peptides
Shashikala Verma, Sudhir Kumar, Ved Prakash Gupta, Samudrala Gourinath, Sonika Bhatnagar & Rakesh Bhatnagar
Pages: 606-624
Published online: 21 Mar 2014
AbstractforStructural basis of Bacillus anthracis MoxXT disruption and the modulation of MoxT ribonuclease activity by rationally designed peptides | Full Text | References | PDF (1.6 MB) | Supplemental
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Article
An insight into the biophysical characterization of different states of cefotaxime hydrolyzing β-lactamase 15 (CTX-M-15)
Md. Tabish Rehman, Mohd. Faheem & Asad U. Khan
Pages: 625-638
Published online: 20 Mar 2014
AbstractforAn insight into the biophysical characterization of different states of cefotaxime hydrolyzing β-lactamase 15 (CTX-M-15) | Full Text | References | PDF (562.1 KB)
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Article
Molecular interactions within the halophilic, thermophilic, and mesophilic prokaryotic ribosomal complexes: clues to environmental adaptation
Saurav Mallik & Sudip Kundu
Pages: 639-656
Published online: 03 Apr 2014
AbstractforMolecular interactions within the halophilic, thermophilic, and mesophilic prokaryotic ribosomal complexes: clues to environmental adaptation | Full Text | References | PDF (343.6 KB) | Supplemental
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Article
The binding modes of cationic porphyrin-anthraquinone hybrids to DNA duplexes: in silico study
Muhammad Arba & Daryono H. Tjahjono
Pages: 657-665
Published online: 28 Feb 2014
AbstractforThe binding modes of cationic porphyrin-anthraquinone hybrids to DNA duplexes: in silico study | Full Text | References | PDF (408.8 KB) | Supplemental
  • 259 Views
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Article
Universal full-length nucleosome mapping sequence probe
Vijay Tripathi, Bilal Salih & Edward N. Trifonov
Pages: 666-673
Published online: 10 Mar 2014
AbstractforUniversal full-length nucleosome mapping sequence probe | Full Text | References | PDF (530.8 KB) | Supplemental
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Article
DPT tautomerisation of the wobble guanine·thymine DNA base mispair is not mutagenic: QM and QTAIM arguments
Ol’ha O. Brovarets’, Roman O. Zhurakivsky & Dmytro M. Hovorun
Pages: 674-689
Published online: 21 Mar 2014
AbstractforDPT tautomerisation of the wobble guanine·thymine DNA base mispair is not mutagenic: QM and QTAIM arguments | Full Text | References | PDF (1.3 MB) | Supplemental
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