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ORCIDInternational Journal of Computational Biology and Drug Design, Volume 10
Volume 10, Number 1, 2017
- D. Naveen Chandra, C. Sharanya Suresh, G. Arun Kumar, P. M. Sandeep, A. Sabu, M. Haridas:
Implication of biotransformation of berberine and its derivatives on FtsZ protein: an in silico study. 1-11 - Elham Shamsara, Jamal Shamsara:
Developing target-specific scoring using black-box optimisation. 12-23 - Aman Singh, Babita Pandey:
A KLD-LSSVM based computational method applied for feature ranking and classification of primary biliary cirrhosis stages. 24-38 - P. Bharath Siva Varma, Yesu Babu Adimulam, K. Subrahmanyam:
In silico virtual screening of PubChem compounds against phosphotransacetylase, a putative drug target for Staphylococcus aureus. 39-48 - Amitha Joy, S. Balaji:
Interactions of phytic acid with anticancer drug targets. 49-62 - Soheil Hashemi, Ali Abdolali:
Modelling response of excitable cells induced by electromagnetic fields. 63-78 - Madhulata Kumari, Subhash Chandra:
In silico prediction and evaluation of interaction between protein arginine N-methyltransferase 5 cancer target and curcumin derivatives by molecular docking and simulation. 79-86
Volume 10, Number 2, 2017
- Hussein Mohsen, Haixu Tang, Yuzhen Ye:
Improving de novo metatranscriptome assembly via machine learning algorithms. 91-107 - Guanglong Jiang, Yingqiang Fu, Pengyue Zhang, Shirin Ardeshir-Rouhani-Fard, Lijun Cheng, Lang Li, Zhigao Li:
Expression quantitative locus mapping for identification of hotspots using an empirical Bayes mixture model. 108-122 - Rongjie Liu, Aparna Gorthi, Yufang Jin, Alexander J. R. Bishop, Yidong Chen:
Computational tools for genome-wide R-loops identification and characterisation. 123-136 - Xinran Yu, Timothy G. Lilburn, Hong Cai, Jianying Gu, Turgay Korkmaz, Yufeng Wang:
PageRank influence analysis of protein-protein association networks in the malaria parasite Plasmodium falciparum. 137-156 - Ru-Dong Li, Guohui Ding, Yixue Li:
Virtualisation of gene knockout experiments based on kinetic modelling: Escherichia coli as an algorithmic case. 157-188
Volume 10, Number 3, 2017
- Balwant Kishan Malik, Rajni Jaiswal, Poonam Malik, Neha Malik, Uzma Khanam:
Identification of novel compounds against lower urinary tract symptoms and cystitis through docking and virtual screening. 189-206 - Anthony Ascone, Ridwan Sakidja:
MDM2 case study: computational protocol utilising protein flexibility and data mining improves ligand binding mode predictions. 207-224 - Neelamma Mantri, Jaheer Mohmed, Seshagiri Bandi, G. H. Anuradha, Mounica Bandela:
CoMFA, CoMSIA analysis of 4-[5-(4-Fluoro-benzyl-1H-pyrazol-3-yl]-pyridine derivatives as CYP3A4 inhibitors. 225-236 - Vishal N. Koparde, Hardik I. Parikh, Steven P. Bradley, Nihar U. Sheth:
MEEPTOOLS: a maximum expected error based FASTQ read filtering and trimming toolkit. 237-247 - Madhulata Kumari, Neeraj Tiwari, Naidu Subbarao, Subhash Chandra:
Evaluation of predictive models based on random forest, decision tree and support vector machine classifiers and virtual screening of anti-mycobacterial compounds. 248-263 - Shravan Kumar Gunda, Manasa Reddy Gummi, Jaheer Mohmed, Ayub Shaik:
3D-QSAR (CoMFA, CoMSIA) and molecular docking studies of natural flavonoid derivatives to explore structural requirements for MCF-7 cell line inhibition. 264-285
Volume 10, Number 4, 2017
- Rakesh D. Nimbalkar, Sujit R. Tangadpalliwar, Prabha Garg:
Comparative conformational variation and flexibility analysis of binding site D-loop and its importance in designing of potential tankyrases inhibitors. 287-314 - Shraddha Sriraman, Nanda Gopal Saha, Sujata Roy:
Interaction of curcumin with different target proteins of Alzheimer's disease: docking and MD simulation studies. 315-330 - Xiao Wang, Jian Zhao, Yujiao Yan, Jingye Qian, Ping Han, Xiaofeng Song:
An improved convex and concave index for revealing the exposure degree of atoms in protein 3D structure. 331-342 - Clifford W. Fong:
The extravascular penetration of tirapazamine into tumours: a predictive model of the transport and efficacy of hypoxia specific cytotoxic analogues and the potential use of cucurbiturils to facilitate delivery. 343-373 - Tilahun Melak Sitote, Sunita Gakkhar:
Structural analysis of protein translocase subunit SecY from Mycobacterium tuberculosis H37Rv: a potential target for anti-tuberculosis drug discovery. 374-386
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