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Items: 1 to 20 of 118

1.

Structural and free energy landscape of novel mutations in ribosomal protein S1 (rpsA) associated with pyrazinamide resistance.

Khan MT, Khan A, Rehman AU, Wang Y, Akhtar K, Malik SI, Wei DQ.

Sci Rep. 2019 May 16;9(1):7482. doi: 10.1038/s41598-019-44013-9.

2.

The Disulfide Bond between Cys22 and Cys27 in the Protease Domain Modulate Clotting Activity of Coagulation Factor X.

Li F, Chen C, Qu SY, Zhao MZ, Xie X, Wu X, Li L, Wang X, Ding Q, Xu Q, Wei DQ, Wu W.

Thromb Haemost. 2019 Mar 27. doi: 10.1055/s-0039-1683442. [Epub ahead of print]

PMID:
30919383
3.

Artificial Neural Networks for Prediction of Tuberculosis Disease.

Khan MT, Kaushik AC, Ji L, Malik SI, Ali S, Wei DQ.

Front Microbiol. 2019 Mar 4;10:395. doi: 10.3389/fmicb.2019.00395. eCollection 2019.

4.

Immunoinformatic and systems biology approaches to predict and validate peptide vaccines against Epstein-Barr virus (EBV).

Ali A, Khan A, Kaushik AC, Wang Y, Ali SS, Junaid M, Saleem S, Cho WCS, Mao X, Wei DQ.

Sci Rep. 2019 Jan 24;9(1):720. doi: 10.1038/s41598-018-37070-z.

5.

Computational Perspective on the Current State of the Methods and New Challenges in Cancer Drug Discovery.

Wei DQ, Selvaraj G, Kaushik AC.

Curr Pharm Des. 2018;24(32):3725-3726. doi: 10.2174/138161282432190109105339.

PMID:
30675829
6.

Exploring the Papillomaviral Proteome to Identify Potential Candidates for a Chimeric Vaccine against Cervix Papilloma Using Immunomics and Computational Structural Vaccinology.

Kaliamurthi S, Selvaraj G, Chinnasamy S, Wang Q, Nangraj AS, Cho WC, Gu K, Wei DQ.

Viruses. 2019 Jan 15;11(1). pii: E63. doi: 10.3390/v11010063.

7.

Helix-Switch Enables C99 Dimer Transition between the Multiple Conformations.

Li CD, Junaid M, Chen H, Ali A, Wei DQ.

J Chem Inf Model. 2019 Jan 28;59(1):339-350. doi: 10.1021/acs.jcim.8b00559. Epub 2019 Jan 4.

PMID:
30570254
8.

Pyrazinamide resistance and mutations L19R, R140H, and E144K in Pyrazinamidase of Mycobacterium tuberculosis.

Khan MT, Junaid M, Mao X, Wang Y, Hussain A, Malik SI, Wei DQ.

J Cell Biochem. 2018 Nov 28. doi: 10.1002/jcb.27989. [Epub ahead of print]

PMID:
30485476
9.

Insights into the Mechanisms of the Pyrazinamide Resistance of Three Pyrazinamidase Mutants N11K, P69T, and D126N.

Junaid M, Khan MT, Malik SI, Wei DQ.

J Chem Inf Model. 2019 Jan 28;59(1):498-508. doi: 10.1021/acs.jcim.8b00525. Epub 2018 Dec 7.

PMID:
30481017
10.

PredT4SE-Stack: Prediction of Bacterial Type IV Secreted Effectors From Protein Sequences Using a Stacked Ensemble Method.

Xiong Y, Wang Q, Yang J, Zhu X, Wei DQ.

Front Microbiol. 2018 Oct 26;9:2571. doi: 10.3389/fmicb.2018.02571. eCollection 2018.

11.

Insight into novel clinical mutants of RpsA-S324F, E325K, and G341R of Mycobacterium tuberculosis associated with pyrazinamide resistance.

Khan MT, Rehaman AU, Junaid M, Malik SI, Wei DQ.

Comput Struct Biotechnol J. 2018 Oct 4;16:379-387. doi: 10.1016/j.csbj.2018.09.004. eCollection 2018.

12.

Cancer Immunoinformatics: A Promising Era in the Development of Peptide Vaccines for Human Papillomavirus-induced Cervical Cancer.

Kaliamurthi S, Selvaraj G, Junaid M, Khan A, Gu K, Wei DQ.

Curr Pharm Des. 2018;24(32):3791-3817. doi: 10.2174/1381612824666181106094133.

PMID:
30398106
13.

Survey of Machine Learning Techniques for Prediction of the Isoform Specificity of Cytochrome P450 Substrates.

Xiong Y, Qiao Y, Kihara D, Zhang HY, Zhu X, Wei DQ.

Curr Drug Metab. 2018 Oct 18. doi: 10.2174/1389200219666181019094526. [Epub ahead of print]

PMID:
30338736
14.

The systematic modeling studies and free energy calculations of the phenazine compounds as anti-tuberculosis agents.

Wang Y, Khan A, Chandra Kaushik A, Junaid M, Zhang X, Wei DQ.

J Biomol Struct Dyn. 2018 Nov 18:1-19. doi: 10.1080/07391102.2018.1537896. [Epub ahead of print]

PMID:
30332914
15.

Structural-dynamic insights into the H. pylori cytotoxin-associated gene A (CagA) and its abrogation to interact with the tumor suppressor protein ASPP2 using decoy peptides.

Junaid M, Shah M, Khan A, Li CD, Khan MT, Kaushik AC, Ali A, Mehmood A, Nangraj AS, Choi S, Wei DQ.

J Biomol Struct Dyn. 2018 Oct 17:1-36. doi: 10.1080/07391102.2018.1537895. [Epub ahead of print]

PMID:
30328798
16.

Designing of CD8+ and CD8+-overlapped CD4+ epitope vaccine by targeting late and early proteins of human papillomavirus.

Kaliamurthi S, Selvaraj G, Kaushik AC, Gu KR, Wei DQ.

Biologics. 2018 Oct 2;12:107-125. doi: 10.2147/BTT.S177901. eCollection 2018.

17.

Identification of target gene and prognostic evaluation for lung adenocarcinoma using gene expression meta-analysis, network analysis and neural network algorithms.

Selvaraj G, Kaliamurthi S, Kaushik AC, Khan A, Wei YK, Cho WC, Gu K, Wei DQ.

J Biomed Inform. 2018 Oct;86:120-134. doi: 10.1016/j.jbi.2018.09.004. Epub 2018 Sep 6.

PMID:
30195659
18.

Prognostic Impact of Tissue Inhibitor of Metalloproteinase-1 in Non-Small Cell Lung Cancer: Systematic Review and Meta-Analysis.

Selvaraj G, Kaliamurthi S, Lin S, Gu K, Wei DQ.

Curr Med Chem. 2018 Sep 3. doi: 10.2174/0929867325666180904114455. [Epub ahead of print]

PMID:
30182835
19.

Nano-particle mediated inhibition of Parkinson's disease using computational biology approach.

Kaushik AC, Bharadwaj S, Kumar S, Wei DQ.

Sci Rep. 2018 Jun 15;8(1):9169. doi: 10.1038/s41598-018-27580-1.

20.

Towards the low-sensitive and high-energetic co-crystal explosive CL-20/TNT: from intermolecular interactions to structures and properties.

Zhang XQ, Yuan JN, Selvaraj G, Ji GF, Chen XR, Wei DQ.

Phys Chem Chem Phys. 2018 Jun 27;20(25):17253-17261. doi: 10.1039/c8cp01841c.

PMID:
29901061

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