Works in Journal of Biomolecular Structure & Dynamics, 2017, Vol 35, Issue 2

Results: 16

New small-size peptides modulators of the exosite of BACE1 obtained from a structure-based design.

Published in:

Journal of Biomolecular Structure & Dynamics, 2017, v. 35, n. 2, p. 413, doi. 10.1080/07391102.2016.1145143

By:

Gutierrez, Lucas J.;
Angelina, Emilio;
Gyebrovszki, Andrea;
Fülöp, Lívia;
Peruchena, Nelida;
Baldoni, Héctor A.;
Penke, Botond;
Enriz, Ricardo D.

Publication type:

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.

Published in:

Journal of Biomolecular Structure & Dynamics, 2017, v. 35, n. 2, p. 427, doi. 10.1080/07391102.2016.1146165

By:

Zhao, Fu-Li;
Yang, Guang-Hua;
Xiang, Sen;
Gao, Dong-Dong;
Zeng, Chen

Publication type:

Article

Interaction of chemokine receptor CXCR4 in monomeric and dimeric state with its endogenous ligand CXCL12: coarse-grained simulations identify differences.

Published in:

Journal of Biomolecular Structure & Dynamics, 2017, v. 35, n. 2, p. 399, doi. 10.1080/07391102.2016.1145142

By:

Cutolo, Pasquale;
Basdevant, Nathalie;
Bernadat, Guillaume;
Bachelerie, Françoise;
Ha-Duong, Tâp

Publication type:

Article

Effect of pH on structure, function, and stability of mitochondrial carbonic anhydrase VA.

Published in:

Journal of Biomolecular Structure & Dynamics, 2017, v. 35, n. 2, p. 449, doi. 10.1080/07391102.2016.1149097

By:

Idrees, Danish;
Shahbaaz, Mohd.;
Bisetty, Krishna;
Islam, Asimul;
Ahmad, Faizan;
Hassan, Md. Imtaiyaz

Publication type:

Article

Exploring the thermal stability and activity of α-chymotrypsin in the presence of spermine.

Published in:

Journal of Biomolecular Structure & Dynamics, 2017, v. 35, n. 2, p. 435, doi. 10.1080/07391102.2016.1147984

By:

Farhadian, Sadegh;
Shareghi, Behzad;
Saboury, Ali A.

Publication type:

Article

Dynamics and modulation studies of human voltage gated Kv1.5 channel.

Published in:

Journal of Biomolecular Structure & Dynamics, 2017, v. 35, n. 2, p. 380, doi. 10.1080/07391102.2016.1144528

By:

Bhuyan, Rajabrata;
Seal, Alpana

Publication type:

Article

Binding modes of phosphotriesterase-like lactonase complexed with δ -nonanoic lactone and paraoxon using molecular dynamics simulations.

Published in:

Journal of Biomolecular Structure & Dynamics, 2017, v. 35, n. 2, p. 273, doi. 10.1080/07391102.2016.1142899

By:

Guan, Shanshan;
Zhao, Li;
Jin, Hanyong;
Shan, Ning;
Han, Weiwei;
Wang, Song;
Shan, Yaming

Publication type:

Article

Deciphering the cause of evolutionary variance within intrinsically disordered regions in human proteins.

Published in:

Journal of Biomolecular Structure & Dynamics, 2017, v. 35, n. 2, p. 233, doi. 10.1080/07391102.2016.1143877

By:

Banerjee, Sanghita;
Chakraborty, Sandip;
De, Rajat K.

Publication type:

Article

Elucidation of structural and functional properties of albumin bound to gold nanoparticles.

Published in:

Journal of Biomolecular Structure & Dynamics, 2017, v. 35, n. 2, p. 368, doi. 10.1080/07391102.2016.1144223

By:

Mariam, Jessy;
Sivakami, S.;
Dongre, P.M.

Publication type:

Article

Insights into the structural perturbations of spliced variants of CD44: a modeling and simulation approach.

Published in:

Journal of Biomolecular Structure & Dynamics, 2017, v. 35, n. 2, p. 354, doi. 10.1080/07391102.2016.1142476

By:

Patel, Shanaya;
Shaikh, Faraz;
Devaraji, Vinod;
Radadiya, Ashish;
Shah, Kanisha;
Shah, Anamik;
Rawal, Rakesh

Publication type:

Article

Apta-nanosensor preparation and in vitro assay for rapid Diazinon detection using a computational molecular approach.

Published in:

Journal of Biomolecular Structure & Dynamics, 2017, v. 35, n. 2, p. 343, doi. 10.1080/07391102.2016.1140594

By:

Jokar, Mahmoud;
Safaralizadeh, Mohammad Hassan;
Hadizadeh, Farzin;
Rahmani, Fatemeh;
Kalani, Mohamad Reza

Publication type:

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.

Published in:

Journal of Biomolecular Structure & Dynamics, 2017, v. 35, n. 2, p. 250, doi. 10.1080/07391102.2016.1140593

By:

Nowroozi, Amin;
Shahlaei, Mohsen

Publication type:

Article

Analysis and prediction of drug–drug interaction by minimum redundancy maximum relevance and incremental feature selection.

Published in:

Journal of Biomolecular Structure & Dynamics, 2017, v. 35, n. 2, p. 312, doi. 10.1080/07391102.2016.1138142

By:

Liu, Lili;
Chen, Lei;
Zhang, Yu-Hang;
Wei, Lai;
Cheng, Shiwen;
Kong, Xiangyin;
Zheng, Mingyue;
Huang, Tao;
Cai, Yu-Dong

Publication type:

Article

Functional stability and structural transitions of Kallikrein: spectroscopic and molecular dynamics studies.

Published in:

Journal of Biomolecular Structure & Dynamics, 2017, v. 35, n. 2, p. 330, doi. 10.1080/07391102.2016.1138884

By:

Dalal, Sayli;
Mhashal, Anil;
Kadoo, Narendra;
Gaikwad, Sushama M.

Publication type:

Article

Synthesis and biological evaluation of a new dysprosium(III) complex containing 2,9-dimethyl 1,10-phenanthroline.

Published in:

Journal of Biomolecular Structure & Dynamics, 2017, v. 35, n. 2, p. 300, doi. 10.1080/07391102.2015.1137491

By:

Moradi, Zohreh;
Khorasani-Motlagh, Mozhgan;
Noroozifar, Meissam

Publication type:

Article

Identification of Phosphoribosyl-AMP cyclohydrolase, as drug target and its inhibitors in Brucella melitensis bv. 1 16M using metabolic pathway analysis.

Published in:

Journal of Biomolecular Structure & Dynamics, 2017, v. 35, n. 2, p. 287, doi. 10.1080/07391102.2015.1137229

By:

Gupta, Money;
Prasad, Yamuna;
Sharma, Sanjeev Kumar;
Jain, Chakresh Kumar

Publication type:

Article