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ORCIDComputational Biology and Chemistry, Volume 67
Volume 67, April 2017
- Kullappan Malathi
, Anand Anbarasu, Sudha Ramaiah:
Exploring the resistance mechanism of imipenem in carbapenem hydrolysing class D beta-lactamases OXA-143 and its variant OXA-231 (D224A) expressing Acinetobacter baumannii: An in-silico approach. 1-8 - Muhammad Arba, Sunandar Ihsan, La Ode Ahmad Nur Ramadhan, Daryono Hadi Tjahjono:
In silico study of porphyrin-anthraquinone hybrids as CDK2 inhibitor. 9-14 - Kemal M. Taskin, Aslihan Özbilen, Fatih Sezer, Kaan Hürkan, Sebnem Günes:
Structure and expression of dna methyltransferase genes from apomictic and sexual Boechera species. 15-21 - Somayeh Zare, Masood Fereidoonnezhad, Davoud Afshar, Zahra Ramezani:
A comparative QSAR analysis and molecular docking studies of phenyl piperidine derivatives as potent dual NK1R antagonists/serotonin transporter (SERT) inhibitors. 22-37 - Shuqun Zhang, Zichun Lin, Yinglan Pu, Yunqin Zhang, Li Zhang, Zhili Zuo:
Comparative QSAR studies using HQSAR, CoMFA, and CoMSIA methods on cyclic sulfone hydroxyethylamines as BACE1 inhibitors. 38-47 - Manoj Kumar, Tanpreet Kaur, Anuj Sharma:
Role of computational efficiency indices and pose clustering in effective decision making: An example of annulated furanones in Pf-DHFR space. 48-61 - Dashuai Lv, Cunxin Wang, Chunhua Li, Jianjun Tan, Xiaoyi Zhang:
An efficient perturbation method to predict the functionally key sites of glutamine binding protein. 62-68 - Arun Bahadur Gurung, Amit Kumar Das, Atanu Bhattacharjee:
Disruption of redox catalytic functions of peroxiredoxin-thioredoxin complex in Mycobacterium tuberculosis H37Rv using small interface binding molecules. 69-83 - Asifullah Khan, Mehwish Munir, Sara Aiman, Wadood Abdul, Arif Ullah Khan:
The in silico identification of small molecules for protein-protein interaction inhibition in AKAP-Lbc-RhoA signaling complex. 84-91 - Shun Guo, Donghui Guo, Lifei Chen, Qingshan Jiang:
A L1-regularized feature selection method for local dimension reduction on microarray data. 92-101 - Utpal Kumar Adhikari, M. Mizanur Rahman:
Comparative analysis of amino acid composition in the active site of nirk gene encoding copper-containing nitrite reductase (CuNiR) in bacterial spp. 102-113 - Sadegh Kaviani, Mohammad Izadyar, Mohammad Reza Housaindokht:
A DFT study on the complex formation between desferrithiocin and metal ions (Mg2+, Al3+, Ca2+, Mn2+, Fe3+, Co2+, Ni2+, Cu2+, Zn2+). 114-121 - Rajan Kumar Singh, Kulandaivelu Mahalingam:
In silico approach to identify non-synonymous SNPs in human obesity related gene, MC3R (melanocortin-3-receptor). 122-130 - Musa Kavas, Aslihan Kurt Kizildogan, Büsra Abanoz:
Comparative genome-wide phylogenetic and expression analysis of SBP genes from potato (Solanum tuberosum). 131-140 - Peng Sang, Yue-Hui Xie, Lin-Hua Li, Yu-Jia Ye, Wei Hu, Jing Wang, Wen Wan, Rui Li, Long-Jun Li, Linling Ma, Zhi Li, Shu-Qun Liu, Zhaohui Meng:
Effect of the R119G mutation on human P5CR structure and its interactions with NAD: Insights derived from molecular dynamics simulation and free energy analysis. 141-149 - Fanfan Xie, Mingxiong He, Li He, Keqin Liu, Menglong Li, Guoquan Hu, Zhining Wen:
Bipartite network analysis reveals metabolic gene expression profiles that are highly associated with the clinical outcomes of acute myeloid leukemia. 150-157 - Fatemeh Bohlooli, Saghi Sepehri, Nima Razzaghi-Asl:
Response surface methodology in drug design: A case study on docking analysis of a potent antifungal fluconazole. 158-173 - Kambiz Davari, Jamileh Nowroozi, Farzaneh Hosseini, Abbas Akhavan Sepahy, Sako Mirzaie:
Structure-based virtual screening to identify the beta-lactamase CTX-M-9 inhibitors: An in silico effort to overcome antibiotic resistance in E. coli. 174-181 - Yanjiao Qi, Huining Lu, J. X. Liang, Yaming Zhao, Xiaoe Wang, Nengzhi Jin:
Comparison of the molecular interactions of 7′-carboxyalkyl apigenin derivatives with S. cerevisiae α-glucosidase. 182-193 - Ming-Jun Feng, Hui-Min Chu, Cai-Jie Shen, Bin He, Xian-Feng Du, Yi-Bo Yu, Jing Liu, Xiao-Min Chen:
Attractors of hypertrophic cardiomyopathy using maximal cliques and attract methods. 194-199 - Sandeep Appunni, P. M. Rajisha, Muni Rubens, Sangoju Chandana, Himanshu Narayan Singh, Vishnu Swarup:
Targeting PknB, an eukaryotic-like serine/threonine protein kinase of Mycobacterium tuberculosis with phytomolecules. 200-204 - Suayip Yüzbasi, Murat Karaçayir:
An exponential Galerkin method for solutions of HIV infection model of CD4+ T-cells. 205-212 - Sk. Abdul Amin, Plaban Bhattacharya, Souvik Basak, Shovanlal Gayen, Ashis Nandy, Achintya Saha:
Pharmacoinformatics study of Piperolactam A from Piper betle root as new lead for non steroidal anti fertility drug development. 213-224 - Shachi Gahoi, Budhayash Gautam:
Genome-wide analysis of Excretory/Secretory proteins in root-knot nematode, Meloidogyne incognita provides potential targets for parasite control. 225-233 - Xiaolong Jia, Yiyang Li, Alok Sharma, Yulong Li, Guohai Xie, Guoyao Wang, Junhui Jiang, Yue Cheng, Xianting Ding:
Application of sequential factorial design and orthogonal array composite design (OACD) to study combination of 5 prostate cancer drugs. 234-243 - Ahmad Karkhah, Mahdiye Saadi, Hamid Reza Nouri:
In silico analyses of heat shock protein 60 and calreticulin to designing a novel vaccine shifting immune response toward T helper 2 in atherosclerosis. 244-254 - Zhi-Jian Huang, Qin-Hai Shen, Yan-Sheng Wu, Ya-Li Huang:
A Gibbs sampling method to determine biomarkers for asthma. 255-259 - Santosh S. Chhajed, Shital Chaskar, Sanjay K. Kshirsagar, G. M. Animeshchandra Haldar, Debarshi Kar Mahapatra:
Rational design and synthesis of some PPAR-γ agonists: Substituted benzylideneamino-benzylidene-thiazolidine-2, 4-diones. 260-265
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