Journal of Biomolecular Structure and Dynamics, Volume 34, Issue 1 (2016)

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Journal of Biomolecular Structure and Dynamics, Volume 34, Issue 1 (2016)

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Articles

Article
Pharmacoinformatics analysis to identify inhibitors of Mtb-ASADH
Rajender Kumar, Prabha Garg & P.V. Bharatam
Pages: 1-14
Published online: 11 Feb 2015
AbstractforPharmacoinformatics analysis to identify inhibitors of Mtb-ASADH | Full Text | References | PDF (1.3 MB)
  • 251 Views
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Article
Insight into the interactive residues between two domains of human somatic Angiotensin-converting enzyme and Angiotensin II by MM-PBSA calculation and steered molecular dynamics simulation
Shan-shan Guan, Wei-wei Han, Hao Zhang, Song Wang & Ya-ming Shan
Pages: 15-28
Published online: 11 Feb 2015
AbstractforInsight into the interactive residues between two domains of human somatic Angiotensin-converting enzyme and Angiotensin II by MM-PBSA calculation and steered molecular dynamics simulation | Full Text | References | PDF (1.2 MB) | Supplemental
  • 482 Views
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Article
Deciphering the impact of somatic mutations in exon 20 and exon 9 of PIK3CA gene in breast tumors among Indian women through molecular dynamics approach
N. Sudhakar, C. George Priya Doss, D. Thirumal Kumar, Chiranjib Chakraborty, Kushi Anand & M. Suresh
Pages: 29-41
Published online: 13 Feb 2015
AbstractforDeciphering the impact of somatic mutations in exon 20 and exon 9 of PIK3CA gene in breast tumors among Indian women through molecular dynamics approach | Full Text | References | PDF (1.1 MB)
  • 254 Views
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Article
Molecular modeling and in-silico engineering of Cardamom mosaic virus coat protein for the presentation of immunogenic epitopes of Leptospira LipL32
Vikram Kumar, S. Damodharan, Eswari P.J. Pandaranayaka, Madanan G. Madathiparambil & Jebasingh Tennyson
Pages: 42-56
Published online: 18 Feb 2015
AbstractforMolecular modeling and in-silico engineering of Cardamom mosaic virus coat protein for the presentation of immunogenic epitopes of Leptospira LipL32 | Full Text | References | PDF (1.4 MB)
  • 257 Views
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Article
Study of the interaction between DNP and DIDS with human hemoglobin as binary and ternary systems: spectroscopic and molecular modeling investigation
Shamim Rashidipour, Samane Naeeminejad & Jamshidkhan Chamani
Pages: 57-77
Published online: 18 Feb 2015
AbstractforStudy of the interaction between DNP and DIDS with human hemoglobin as binary and ternary systems: spectroscopic and molecular modeling investigation | Full Text | References | PDF (1 MB)
  • 251 Views
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Article
Insights into molecular interactions between CaM and its inhibitors from molecular dynamics simulations and experimental data
Martin González-Andrade, Rogelio Rodríguez-Sotres, Abraham Madariaga-Mazón, José Rivera-Chávez, Rachel Mata, Alejandro Sosa-Peinado, Luis del Pozo-Yauner & Imilla I. Arias-Olguín
Pages: 78-91
Published online: 09 Apr 2015
AbstractforInsights into molecular interactions between CaM and its inhibitors from molecular dynamics simulations and experimental data | Full Text | References | PDF (1.5 MB)
  • 561 Views
  • 10 CrossRef citations
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Article
Role of solvent properties of aqueous media in macromolecular crowding effects
Luisa A. Ferreira, Pedro P. Madeira, Leonid Breydo, Christian Reichardt, Vladimir N. Uversky & Boris Y. Zaslavsky
Pages: 92-103
Published online: 26 Feb 2015
AbstractforRole of solvent properties of aqueous media in macromolecular crowding effects | Full Text | References | PDF (648.4 KB)
  • 812 Views
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Article
Interaction of arginine, lysine, and guanidine with surface residues of lysozyme: implication to protein stability
Dhawal Shah & Abdul Rajjak Shaikh
Pages: 104-114
Published online: 02 Mar 2015
AbstractforInteraction of arginine, lysine, and guanidine with surface residues of lysozyme: implication to protein stability | Full Text | References | PDF (864.8 KB)
  • 487 Views
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Article
Molecular analysis of some camel cytochrome P450 enzymes reveals lower evolution and drug-binding properties
Yousef Altaher & Mahmoud Kandeel
Pages: 115-124
Published online: 03 Mar 2015
AbstractforMolecular analysis of some camel cytochrome P450 enzymes reveals lower evolution and drug-binding properties | Full Text | References | PDF (945.7 KB) | Supplemental
  • 249 Views
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Article
Importance of long-time simulations for rare event sampling in zinc finger proteins
Ryan Godwin, William Gmeiner & Freddie R. Salsbury Jr.
Pages: 125-134
Published online: 09 Apr 2015
AbstractforImportance of long-time simulations for rare event sampling in zinc finger proteins | Full Text | References | PDF (922.7 KB)
  • 362 Views
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Article
Multi-drug resistance profile of PR20 HIV-1 protease is attributed to distorted conformational and drug binding landscape: molecular dynamics insights
Sarentha Chetty, Soumendranath Bhakat, Alberto J.M. Martin & Mahmoud E.S. Soliman
Pages: 135-151
Published online: 27 Mar 2015
AbstractforMulti-drug resistance profile of PR20 HIV-1 protease is attributed to distorted conformational and drug binding landscape: molecular dynamics insights | Full Text | References | PDF (1.4 MB) | Supplemental
  • 541 Views
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Article
In vitro and in silico antifungal efficacy of nitrogen-doped carbon nanohorn (NCNH) against Rhizoctonia solani
Seema Dharni, Sanchita, SreeKuttan M. Unni, Sreekumar Kurungot, Abdul Samad, Ashok Sharma & Dharani Dhar Patra
Pages: 152-162
Published online: 01 May 2015
AbstractforIn vitro and in silico antifungal efficacy of nitrogen-doped carbon nanohorn (NCNH) against Rhizoctonia solani | Full Text | References | PDF (1.8 MB)
  • 238 Views
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Article
Thermodynamics calculation of protein–ligand interactions by QM/MM polarizable charge parameters
Jinan Wang, Qiang Shao, Benjamin P. Cossins, Jiye Shi, Kaixian Chen & Weiliang Zhu
Pages: 163-176
Published online: 11 Mar 2015
AbstractforThermodynamics calculation of protein–ligand interactions by QM/MM polarizable charge parameters | Full Text | References | PDF (499.5 KB) | Supplemental
  • 460 Views
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Article
Investigation of irradiated rats DNA in the presence of Cu(II) chelates of amino acids Schiff bases
N.H. Karapetyan, A.L. Torosyan, M. Malakyan, S.A. Bajinyan & S.G. Haroutiunian
Pages: 177-183
Published online: 23 Jun 2015
AbstractforInvestigation of irradiated rats DNA in the presence of Cu(II) chelates of amino acids Schiff bases | Full Text | References | PDF (242.5 KB)
  • 76 Views
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Article
Landscape of π–π and sugar–π contacts in DNA–protein interactions
Katie A. Wilson, Rachael A. Wells, Minette N. Abendong, Colin B. Anderson, Ryan W. Kung & Stacey D. Wetmore
Pages: 184-200
Published online: 27 Feb 2015
AbstractforLandscape of π–π and sugar–π contacts in DNA–protein interactions | Full Text | References | PDF (718.2 KB) | Supplemental
  • 364 Views
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Article
Theoretical treatment of helix–coil transition of complexes DNA with two different ligands having different binding parameters
Armen T. Karapetian, Zareh A. Grigoryan, Yevgeni Sh. Mamasakhlisov, Mikayel V. Minasyants & Poghos O. Vardevanyan
Pages: 201-205
Published online: 27 Feb 2015
AbstractforTheoretical treatment of helix–coil transition of complexes DNA with two different ligands having different binding parameters | Full Text | References | PDF (216.7 KB)
  • 148 Views
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Article
Rich spectroscopic and molecular dynamic studies on the interaction of cytotoxic Pt(II) and Pd(II) complexes of glycine derivatives with calf thymus DNA
Mahboube Eslami Moghadam, Maryam Saidifar, Adeleh Divsalar, Hassan Mansouri-Torshizi, Ali Akbar Saboury, Hossein Farhangian & Maryam Ghadamgahi
Pages: 206-222
Published online: 20 Apr 2015
AbstractforRich spectroscopic and molecular dynamic studies on the interaction of cytotoxic Pt(II) and Pd(II) complexes of glycine derivatives with calf thymus DNA | Full Text | References | PDF (1.9 MB)
  • 181 Views
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Article
iMiRNA-PseDPC: microRNA precursor identification with a pseudo distance-pair composition approach
Bin Liu, Longyun Fang, Fule Liu, Xiaolong Wang & Kuo-Chen Chou
Pages: 223-235
Published online: 03 Mar 2015
AbstractforiMiRNA-PseDPC: microRNA precursor identification with a pseudo distance-pair composition approach | Full Text | References | PDF (556.9 KB) | Supplemental
  • 508 Views
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