Journal of Biomolecular Structure and Dynamics, Volume 35, Issue 4 (2017)

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Journal of Biomolecular Structure and Dynamics, Volume 35, Issue 4 (2017)

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Research Articles

Article
Triplex forming oligonucleotides targeted to hmga1 selectively inhibit its expression and induce apoptosis in human cervical cancer
Md. Zahid Akhter & Moganty R. Rajeswari
Pages: 689-703
Published online: 21 Mar 2016
AbstractforTriplex forming oligonucleotides targeted to hmga1 selectively inhibit its expression and induce apoptosis in human cervical cancer | Full Text | References | PDF (672.3 KB)
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Article
Targeting Holliday junctions by origin DNA-binding protein of herpes simplex virus type 1
E.D. Moiseeva, N.P. Bazhulina, Y.G. Gursky, S.L. Grokhovsky, A.N. Surovaya & G.V. Gursky
Pages: 704-723
Published online: 25 May 2016
AbstractforTargeting Holliday junctions by origin DNA-binding protein of herpes simplex virus type 1 | Full Text | References | PDF (1.2 MB) | Supplemental
  • 188 Views
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Article
Diabetes mellitus caused by mutations in human insulin: analysis of impaired receptor binding of insulins Wakayama, Los Angeles and Chicago using pharmacoinformatics
Md Ataul Islam, Sagar Bhayye, Adebayo A. Adeniyi, Mahmoud E.S. Soliman & Tahir S. Pillay
Pages: 724-737
Published online: 14 Apr 2016
AbstractforDiabetes mellitus caused by mutations in human insulin: analysis of impaired receptor binding of insulins Wakayama, Los Angeles and Chicago using pharmacoinformatics | Full Text | References | PDF (1.3 MB) | Supplemental
  • 415 Views
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Article
Atomistic molecular dynamics simulations of typical and atypical antipsychotic drugs at the dopamine D2 receptor (D2R) elucidates their inhibition mechanism
Ramin Ekhteiari Salmas, Mine Yurtsever & Serdar Durdagi
Pages: 738-754
Published online: 06 Apr 2016
AbstractforAtomistic molecular dynamics simulations of typical and atypical antipsychotic drugs at the dopamine D2 receptor (D2R) elucidates their inhibition mechanism | Full Text | References | PDF (1.6 MB) | Supplemental
  • 660 Views
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Article
Probing the interaction mechanism of small molecule inhibitors with matriptase based on molecular dynamics simulation and free energy calculations
Dong-Ru Sun, Qing-Chuan Zheng & Hong-Xing Zhang
Pages: 755-764
Published online: 04 Apr 2016
AbstractforProbing the interaction mechanism of small molecule inhibitors with matriptase based on molecular dynamics simulation and free energy calculations | Full Text | References | PDF (897.8 KB) | Supplemental
  • 191 Views
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Article
In silico and In vitro evaluation of the anti-inflammatory potential of Centratherum punctatum Cass-A
Krithika S. Shankaran, Shabir Ahmad Ganai, Arun K.P.Brindha P.Vijayalakshmi Mahadevan
Pages: 765-780
Published online: 08 Jul 2016
AbstractforIn silico and In vitro evaluation of the anti-inflammatory potential of Centratherum punctatum Cass-A | Full Text | References | PDF (1.1 MB)
  • 285 Views
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Article
Understanding the effects of two bound glucose in Sudlow site I on structure and function of human serum albumin: theoretical studies
Tadsanee Awang, Nuttapon Wiriyatanakorn, Patchreenart Saparpakorn, Deanpen Japrung & Prapasiri Pongprayoon
Pages: 781-790
Published online: 29 Jul 2016
AbstractforUnderstanding the effects of two bound glucose in Sudlow site I on structure and function of human serum albumin: theoretical studies | Full Text | References | PDF (821.7 KB) | Supplemental
  • 363 Views
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Article
Exploring dual inhibitory role of febrifugine analogues against Plasmodium utilizing structure-based virtual screening and molecular dynamic simulation
Rajan Kumar Pandey, Aruna Narula, Manisha Naskar, Shubham Srivastava, Parmila Verma, Ruchi Malik, Priyanka Shah & Vijay Kumar Prajapati
Pages: 791-804
Published online: 18 Apr 2016
AbstractforExploring dual inhibitory role of febrifugine analogues against Plasmodium utilizing structure-based virtual screening and molecular dynamic simulation | Full Text | References | PDF (1.1 MB) | Supplemental
  • 456 Views
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Article
The dynamic properties of the Hepatitis C Virus E2 envelope protein unraveled by molecular dynamics
Daniela Barone, Nicole Balasco, Ida Autiero & Luigi Vitagliano
Pages: 805-816
Published online: 08 Jul 2016
AbstractforThe dynamic properties of the Hepatitis C Virus E2 envelope protein unraveled by molecular dynamics | Full Text | References | PDF (834.3 KB) | Supplemental
  • 206 Views
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Article
Determination on the binding of thiadiazole derivative to human serum albumin: a spectroscopy and computational approach
Subramani Karthikeyan, Ganesan Bharanidharan, Karthik Ananth Mani, Narasimhan Srinivasan, Manish Kesherwani, Devadasan Velmurugan, Prakasarao Aruna & Singaravelu Ganesan
Pages: 817-828
Published online: 22 Apr 2016
AbstractforDetermination on the binding of thiadiazole derivative to human serum albumin: a spectroscopy and computational approach | Full Text | References | PDF (753.3 KB)
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Letter to the Editor

Letter
OH-PRED: prediction of protein hydroxylation sites by incorporating adapted normal distribution bi-profile Bayes feature extraction and physicochemical properties of amino acids
Cang-Zhi Jia, Wen-Ying He & Yu-Hua Yao
Pages: 829-835
Published online: 04 May 2016
AbstractforOH-PRED: prediction of protein hydroxylation sites by incorporating adapted normal distribution bi-profile Bayes feature extraction and physicochemical properties of amino acids | Full Text | References | PDF (201.4 KB) | Supplemental
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Research Articles

Article
Abundance and functional roles of intrinsic disorder in the antimicrobial peptides of the NK-lysin family
Haitham A. Yacoub, Omar A. Al-Maghrabi, Ekram S. Ahmed & Vladimir N. Uversky
Pages: 836-856
Published online: 04 Apr 2016
AbstractforAbundance and functional roles of intrinsic disorder in the antimicrobial peptides of the NK-lysin family | Full Text | References | PDF (1.1 MB) | Supplemental
  • 273 Views
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Article
Prediction of a novel internal rearrangement of the insulin receptor
Kei C. Sit, Derek van Lonkhuyzen, Terry Walsh & Tristan Croll
Pages: 857-867
Published online: 20 May 2016
AbstractforPrediction of a novel internal rearrangement of the insulin receptor | Full Text | References | PDF (764 KB) | Supplemental
  • 222 Views
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Article
Deciphering the mechanism behind the varied binding activities of COXIBs through Molecular Dynamic Simulations, MM-PBSA binding energy calculations and per-residue energy decomposition studies
Neha Chaudhary & Polamarasetty Aparoy
Pages: 868-882
Published online: 04 Apr 2016
AbstractforDeciphering the mechanism behind the varied binding activities of COXIBs through Molecular Dynamic Simulations, MM-PBSA binding energy calculations and per-residue energy decomposition studies | Full Text | References | PDF (711.2 KB) | Supplemental
  • 552 Views
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Article
Identification of abelson tyrosine kinase inhibitors as potential therapeutics for Alzheimer’s disease using multiple e-pharmacophore modeling and molecular dynamics
Ravichand Palakurti & Ramakrishna Vadrevu
Pages: 883-896
Published online: 07 Apr 2016
AbstractforIdentification of abelson tyrosine kinase inhibitors as potential therapeutics for Alzheimer’s disease using multiple e-pharmacophore modeling and molecular dynamics | Full Text | References | PDF (1.1 MB)
  • 238 Views
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Article
Binding mode exploration of LuxR-thiazolidinedione analogues, e-pharmacophore-based virtual screening in the designing of LuxR inhibitors and its biological evaluation
Sundaraj Rajamanikandan, Jeyaraman Jeyakanthan & Pappu Srinivasan
Pages: 897-916
Published online: 03 Jun 2016
AbstractforBinding mode exploration of LuxR-thiazolidinedione analogues, e-pharmacophore-based virtual screening in the designing of LuxR inhibitors and its biological evaluation | Full Text | References | PDF (1.4 MB) | Supplemental
  • 187 Views
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