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ORCIDComputational Biology and Chemistry, Volume 71
Volume 71, December 2017
- Akhil Kumar
, Gaurava Srivastava, Ashok Sharma:
A physicochemical descriptor based method for effective and rapid screening of dual inhibitors against BACE-1 and GSK-3β as targets for Alzheimer's disease. 1-9 - Muslim Raza, Zahid Khan, Aftab Ahmad, Saleem Raza, Ajab Khan, Imdad Ullah Mohammadzai, Shah Zada:
In silico 3-D structure prediction and molecular docking studies of inosine monophosphate dehydrogenase from Plasmodium falciparum. 10-19 - Mohamed Awad, Ragab M. Fahmy, Kareem A. Mosa, Mohamed Helmy, Fawzy A. El-Feky:
Identification of effective DNA barcodes for Triticum plants through chloroplast genome-wide analysis. 20-31 - Hajar Owji, Ali Hajiebrahimi, Hassan Seradj, Shiva Hemmati:
Identification and functional prediction of stress responsive AP2/ERF transcription factors in Brassica napus by genome-wide analysis. 32-56 - Joanna Matysiak, Alicja Skrzypek, Pawel Tarasiuk, Mariusz Mojzych:
QSAR study of pyrazolo[4, 3-e][1, 2, 4]triazine sulfonamides against tumor-associated human carbonic anhydrase isoforms IX and XII. 57-62 - Flavia Maria Sutera, Libero Italo Giannola, Denise Murgia, Viviana De Caro:
Assessment of in vivo organ-uptake and in silico prediction of CYP mediated metabolism of DA-Phen, a new dopaminergic agent. 63-69 - Hsin-Chieh Tang, Hung-Jin Huang, Cheng-Chun Lee, Calvin Yu-Chian Chen:
Network pharmacology-based approach of novel traditional Chinese medicine formula for treatment of acute skin inflammation in silico. 70-81 - Michele Aparecida Salvador, Camila Pinheiro Sousa, Simone Morais, Pedro de Lima-Neto, Adriana Nunes Correia, Paula Homem-de-Mello:
Evaluation of degradation mechanism of chlorhexidine by means of Density Functional Theory calculations. 82-88 - Hassan Aryapour, Maryam Dehdab, Farzin Sohraby, Afshar Bargahi:
Prediction of new chromene-based inhibitors of tubulin using structure-based virtual screening and molecular dynamics simulation methods. 89-97 - Zhe Ju, Juhe Sun, Yanjie Li, Li Wang:
Predicting lysine glycation sites using bi-profile bayes feature extraction. 98-103 - Santhosh Kumar Nagarajan, Sathya Babu, Honglae Sohn, Panneer Devaraju, Thirumurthy Madhavan:
3D-QSAR studies on indole and 7-azoindole derivatives as ROCK-2 inhibitors: An integrative computational approach. 104-116 - Sivakumar Prasanth Kumar, Chirag N. Patel, Prakash Chandra Jha, Himanshu A. Pandya:
Molecular dynamics-assisted pharmacophore modeling of caspase-3-isatin sulfonamide complex: Recognizing essential intermolecular contacts and features of sulfonamide inhibitor class for caspase-3 binding. 117-128 - Muhammad Arba, Ruslin, Sunandar Ihsan, Setyanto Tri Wahyudi, Daryono Hadi Tjahjono:
Molecular modeling of cationic porphyrin-anthraquinone hybrids as DNA topoisomerase IIβ inhibitors. 129-135 - Lai Jiang, Chaoliang Tang, Jie Rao, Qing Xue, Hao Wu, Dabao Wu, Aijun Zhang, Ling Chen, Zhen Shen, Lei Lei:
Systematic identification of the druggable interactions between human protein kinases and naturally occurring compounds in endometriosis. 136-143 - Anjali Singh, Nandan Kumar Jana:
Discovery of potential Zika virus RNA polymerase inhibitors by docking-based virtual screening. 144-151 - Wadood Abdul, Aamir Mehmood, Huma Khan, Muhammad Ilyas, Ayaz Ahmad, Mohammed Alarjah, Tareq Abu-Izneid:
Epitopes based drug design for dengue virus envelope protein: A computational approach. 152-160 - Rabia Musheer Aziz, C. K. Verma, Namita Srivastava:
A novel approach for dimension reduction of microarray. 161-169 - Rua'a A. Al-Aqtash, Malek A. Zihlif, Hana Hammad, Zeyad D. Nassar, Jehad Al Meliti, Mutasem O. Taha:
Ligand-based computational modelling of platelet-derived growth factor beta receptor leading to new angiogenesis inhibitory leads. 170-179 - Tom Kazmirchuk, Kevin Dick, Daniel J. Burnside, Brad Barnes, Houman Moteshareie, Maryam Hajikarimlou, Katayoun Omidi, Duale Ahmed, Andrew Low, Clara Lettl, Mohsen Hooshyar, Andrew Schoenrock, Sylvain Pitre, Mohan Babu, Edana Cassol, Bahram Samanfar, Alex Wong, Frank Dehne, James R. Green, Ashkan Golshani:
Designing anti-Zika virus peptides derived from predicted human-Zika virus protein-protein interactions. 180-187 - T. K. Shameera Ahamed, K. Muraleedharan:
A ligand-based comparative molecular field analysis (CoMFA) and homology model based molecular docking studies on 3′, 4′-dihydroxyflavones as rat 5-lipoxygenase inhibitors: Design of new inhibitors. 188-200 - Durairaj Sherlin, Sharmila Anishetty:
A pipeline for proteome-scale identification and studies on hormone sensitive lipases in Mycobacterium tuberculosis. 201-206 - S. Kannan, P. Kolandaivel:
Antiviral potential of natural compounds against influenza virus hemagglutinin. 207-218 - Jai Woo Lee, Tracy Punshon, Erika L. Moen, Margaret R. Karagas, Jiang Gui:
Penalized estimation of sparse concentration matrices based on prior knowledge with applications to placenta elemental data. 219-223 - Rohini Rondla, Lavanya Souda PadmaRao, Vishwanath Ramatenki, Aboubakr Haredi-Abdel-Monsef, Sarita Rajender Potlapally, Uma Vuruputuri:
Selective ATP competitive leads of CDK4: Discovery by 3D-QSAR pharmacophore mapping and molecular docking approach. 224-229
- Tao Ding, Junhua Xu, Mengmeng Sun, Shanshan Zhu, Jie Gao:
Predicting microRNA biological functions based on genes discriminant analysis. 230-235 - Hongyuan Fang, Xianbin Li, Xiangzhen Zan, Liangzhong Shen, Runnian Ma, Wenbin Liu:
Signaling pathway impact analysis by incorporating the importance and specificity of genes (SPIA-IS). 236-244 - Henry Han:
A novel feature selection for RNA-seq analysis. 245-257 - Xuemei Yang, Henry Han:
Factors analysis of protein O-glycosylation site prediction. 258-263 - Guoxian Yu, Yingwen Zhao, Chang Lu, Jun Wang:
HashGO: hashing gene ontology for protein function prediction. 264-273 - Qiang Zhang, Xiaobiao Wang, Xiaojun Wang, Changjun Zhou:
Solving probability reasoning based on DNA strand displacement and probability modules. 274-279
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