Journal of Biomolecular Structure and Dynamics, Volume 35, Issue 2 (2017)

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Journal of Biomolecular Structure and Dynamics, Volume 35, Issue 2 (2017)

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Research Articles

Article
Deciphering the cause of evolutionary variance within intrinsically disordered regions in human proteins
Sanghita Banerjee, Sandip Chakraborty & Rajat K. De
Pages: 233-249
Published online: 04 May 2016
AbstractforDeciphering the cause of evolutionary variance within intrinsically disordered regions in human proteins | Full Text | References | PDF (591.7 KB) | Supplemental
  • 242 Views
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Article
A coupling of homology modeling with multiple molecular dynamics simulation for identifying representative conformation of GPCR structures: a case study on human bombesin receptor subtype-3
Amin Nowroozi & Mohsen Shahlaei
Pages: 250-272
Published online: 11 May 2016
AbstractforA coupling of homology modeling with multiple molecular dynamics simulation for identifying representative conformation of GPCR structures: a case study on human bombesin receptor subtype-3 | Full Text | References | PDF (1.7 MB) | Supplemental
  • 323 Views
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Article
Binding modes of phosphotriesterase-like lactonase complexed with δ-nonanoic lactone and paraoxon using molecular dynamics simulations
Shanshan Guan, Li Zhao, Hanyong Jin, Ning Shan, Weiwei Han, Song Wang & Yaming Shan
Pages: 273-286
Published online: 04 Mar 2016
AbstractforBinding modes of phosphotriesterase-like lactonase complexed with δ-nonanoic lactone and paraoxon using molecular dynamics simulations | Full Text | References | PDF (1.3 MB) | Supplemental
  • 219 Views
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Article
Identification of Phosphoribosyl-AMP cyclohydrolase, as drug target and its inhibitors in Brucella melitensis bv. 1 16M using metabolic pathway analysis
Money Gupta, Yamuna Prasad, Sanjeev Kumar Sharma & Chakresh Kumar Jain
Pages: 287-299
Published online: 21 Apr 2016
AbstractforIdentification of Phosphoribosyl-AMP cyclohydrolase, as drug target and its inhibitors in Brucella melitensis bv. 1 16M using metabolic pathway analysis | Full Text | References | PDF (1 MB)
  • 237 Views
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Article
Synthesis and biological evaluation of a new dysprosium(III) complex containing 2,9-dimethyl 1,10-phenanthroline
Zohreh Moradi, Mozhgan Khorasani-Motlagh & Meissam Noroozifar
Pages: 300-311
Published online: 14 Apr 2016
AbstractforSynthesis and biological evaluation of a new dysprosium(III) complex containing 2,9-dimethyl 1,10-phenanthroline | Full Text | References | PDF (644.7 KB)
  • 145 Views
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Article
Analysis and prediction of drug–drug interaction by minimum redundancy maximum relevance and incremental feature selection
Lili Liu, Lei Chen, Yu-Hang Zhang, Lai Wei, Shiwen Cheng, Xiangyin Kong, Mingyue Zheng, Tao Huang & Yu-Dong Cai
Pages: 312-329
Published online: 04 Apr 2016
AbstractforAnalysis and prediction of drug–drug interaction by minimum redundancy maximum relevance and incremental feature selection | Full Text | References | PDF (663.8 KB) | Supplemental
  • 562 Views
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Article
Functional stability and structural transitions of Kallikrein: spectroscopic and molecular dynamics studies
Sayli Dalal, Anil Mhashal, Narendra Kadoo & Sushama M. Gaikwad
Pages: 330-342
Published online: 17 Mar 2016
AbstractforFunctional stability and structural transitions of Kallikrein: spectroscopic and molecular dynamics studies | Full Text | References | PDF (687.5 KB) | Supplemental
  • 207 Views
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Article
Apta-nanosensor preparation and in vitro assay for rapid Diazinon detection using a computational molecular approach
Mahmoud Jokar, Mohammad Hassan Safaralizadeh, Farzin Hadizadeh, Fatemeh Rahmani & Mohamad Reza Kalani
Pages: 343-353
Published online: 20 May 2016
AbstractforApta-nanosensor preparation and in vitro assay for rapid Diazinon detection using a computational molecular approach | Full Text | References | PDF (705.8 KB)
  • 671 Views
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Article
Insights into the structural perturbations of spliced variants of CD44: a modeling and simulation approach
Shanaya Patel, Faraz Shaikh, Vinod Devaraji, Ashish Radadiya, Kanisha Shah, Anamik Shah & Rakesh Rawal
Pages: 354-367
Published online: 12 Jul 2016
AbstractforInsights into the structural perturbations of spliced variants of CD44: a modeling and simulation approach | Full Text | References | PDF (1.2 MB)
  • 240 Views
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Article
Elucidation of structural and functional properties of albumin bound to gold nanoparticles
Jessy Mariam, S. Sivakami & P.M. Dongre
Pages: 368-379
Published online: 12 Apr 2016
AbstractforElucidation of structural and functional properties of albumin bound to gold nanoparticles | Full Text | References | PDF (457.7 KB) | Supplemental
  • 435 Views
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Article
Dynamics and modulation studies of human voltage gated Kv1.5 channel
Rajabrata Bhuyan & Alpana Seal
Pages: 380-398
Published online: 24 Feb 2016
AbstractforDynamics and modulation studies of human voltage gated Kv1.5 channel | Full Text | References | PDF (1.7 MB)
  • 176 Views
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Article
Interaction of chemokine receptor CXCR4 in monomeric and dimeric state with its endogenous ligand CXCL12: coarse-grained simulations identify differences
Pasquale Cutolo, Nathalie Basdevant, Guillaume Bernadat, Françoise Bachelerie & Tâp Ha-Duong
Pages: 399-412
Published online: 11 Jul 2016
AbstractforInteraction of chemokine receptor CXCR4 in monomeric and dimeric state with its endogenous ligand CXCL12: coarse-grained simulations identify differences | Full Text | References | PDF (1.6 MB) | Supplemental
  • 430 Views
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Article
New small-size peptides modulators of the exosite of BACE1 obtained from a structure-based design
Lucas J. Gutierrez, Emilio Angelina, Andrea Gyebrovszki, Lívia Fülöp, Nelida Peruchena, Héctor A. Baldoni, Botond Penke & Ricardo D. Enriz
Pages: 413-426
Published online: 08 Mar 2016
AbstractforNew small-size peptides modulators of the exosite of BACE1 obtained from a structure-based design | Full Text | References | PDF (628.4 KB) | Supplemental
  • 187 Views
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Article
In silico analysis of the effect of mutation on epidermal growth factor receptor in non-small-cell lung carcinoma: from mutational analysis to drug designing
Fu-Li Zhao, Guang-Hua Yang, Sen Xiang, Dong-Dong Gao & Chen Zeng
Pages: 427-434
Published online: 29 Jul 2016
AbstractforIn silico analysis of the effect of mutation on epidermal growth factor receptor in non-small-cell lung carcinoma: from mutational analysis to drug designing | Full Text | References | PDF (678.4 KB) | Supplemental
  • 309 Views
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Article
Exploring the thermal stability and activity of α-chymotrypsin in the presence of spermine
Sadegh Farhadian, Behzad Shareghi & Ali A. Saboury
Pages: 435-448
Published online: 09 May 2016
AbstractforExploring the thermal stability and activity of α-chymotrypsin in the presence of spermine | Full Text | References | PDF (673.5 KB)
  • 289 Views
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Article
Effect of pH on structure, function, and stability of mitochondrial carbonic anhydrase VA
Danish Idrees, Mohd. Shahbaaz, Krishna Bisetty, Asimul Islam, Faizan Ahmad & Md. Imtaiyaz Hassan
Pages: 449-461
Published online: 04 Apr 2016
AbstractforEffect of pH on structure, function, and stability of mitochondrial carbonic anhydrase VA | Full Text | References | PDF (816.6 KB)
  • 661 Views
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