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ORCIDComputational Biology and Chemistry, Volume 73
Volume 73, April 2018
- Hong-Lian Li, Xiu-Bo Chen, Wen-Yan Jin, Hui Zhou, Ying Ma, Run-Ling Wang:
3D QSAR Pharmacophore Based Virtual Screening for Identification of Potential Inhibitors for CDC25B. 1-12 - Antonio Peramo
:
Molecular dynamics studies show solvation structure of type III antifreeze protein is disrupted at low pH. 13-24 - QingBiao Wang, Yiqin Xu, Zhuoya Gu, Nian Liu, Ke Jin, Yao Li, M. James C. Crabbe, Yang Zhong:
Identification of new antibacterial targets in RNA polymerase of Mycobacterium tuberculosis by detecting positive selection sites. 25-30 - Ankur Saxena, Kiran Belwal, Ankita Chauhan, Amit Pande:
Interferon induced Mx protein from Indian snow trout Schizothorax richardsonii (Gray) lacks critical functional features unlike its mammalian homologues. 31-40 - Krishna Kant Sharma, Deepti Singh, Surender Rawat:
Molecular dynamics simulation studies suggests unconventional roles of non-secretary laccases from enteropathogenic gut bacteria and Cryptococcus neoformans serotype D. 41-48 - Maryam Abdullahi, Fisayo A. Olotu, Mahmoud E. S. Soliman:
Allosteric inhibition abrogates dysregulated LFA-1 activation: Structural insight into mechanisms of diminished immunologic disease. 49-56 - Luigi Leonardo Palese:
A random version of principal component analysis in data clustering. 57-64 - Mahboob Alam, Mohammad Jane Alam, Shaista Azaz, Mehtab Parveen, Soonheum Park, Shabbir Ahmad:
DFT/TD-DFT calculations, spectroscopic characterizations (FTIR, NMR, UV-vis), molecular docking and enzyme inhibition study of 7-benzoyloxycoumarin. 65-78 - Haifeng Tang, Fengchao Cui, Lunyang Liu, Yunqi Li:
Predictive models for tyrosinase inhibitors: Challenges from heterogeneous activity data determined by different experimental protocols. 79-84 - Beutline Malgija, Nachimuthu Senthil Kumar, Shanmughavel Piramanayagam:
Collective transcriptomic deregulation of hypertrophic and dilated cardiomyopathy - Importance of fibrotic mechanism in heart failure. 85-94 - Srilata Ballu, Ramesh Itteboina, Sree Kanth Sivan, Vijjulatha Manga:
Rational design of methicillin resistance staphylococcus aureus inhibitors through 3D-QSAR, molecular docking and molecular dynamics simulations. 95-104 - Xiao-hu Hao, Gui-jun Zhang, Xiaogen Zhou:
Guiding exploration in conformational feature space with Lipschitz underestimation for ab-initio protein structure prediction. 105-119 - Gokhan Zengin, Gizem Bulut, Adriano Mollica, Carene Marie Nancy Picot-Allain, Mohamad Fawzi Mahomoodally:
In vitro and in silico evaluation of Centaurea saligna (K.Koch) Wagenitz - An endemic folk medicinal plant. 120-126 - Diana M. Hodyna, Vasyl V. Kovalishyn, Ivan Semenyuta, Volodymyr Blagodatnyi, Sergiy Rogalsky, Larysa Metelytsia:
Imidazolium ionic liquids as effective antiseptics and disinfectants against drug resistant S. aureus: In silico and in vitro studies. 127-138 - Tomohiro Ban, Masahito Ohue, Yutaka Akiyama:
Multiple grid arrangement improves ligand docking with unknown binding sites: Application to the inverse docking problem. 139-146 - Krishnan Balasubramanian, Vaishali M. Patil:
Quantum molecular modeling of hepatitis C virus inhibition through non-structural protein 5B polymerase receptor binding of C5-arylidene rhodanines. 147-158 - Elham Pashaei, Nizamettin Aydin:
Markovian encoding models in human splice site recognition using SVM. 159-170 - Mohammad Kazem Ebrahimpour, Hossein Nezamabadi-pour, Mahdi Eftekhari:
CCFS: A cooperating coevolution technique for large scale feature selection on microarray datasets. 171-178 - Wen-Yan Jin, Ying Ma, Wei-Ya Li, Hong-Lian Li, Run-Ling Wang:
Scaffold-based novel SHP2 allosteric inhibitors design using Receptor-Ligand pharmacophore model, virtual screening and molecular dynamics. 179-188 - Vishal Mevada, Rajesh Patel, Bhoomi Patel, Rajesh Chaudhari:
Comparative homology model building and docking evaluation for RNA III inhibiting peptide of Multi drug resistant Staphylococcus aureus strain MRSA252. 189-199 - Jinhua Fu, Hong Yang, Jing Wang:
Computational design of the helical hairpin structure of membrane-active antibacterial peptides based on RSV glycoprotein epitope scaffold. 200-205 - Tariq Mahmood, Tamkeen Tahir, Faiza Munir, Zabta Khan Shinwari:
Characterization of regulatory elements in OsRGLP2 gene promoter from different rice accessions through sequencing and in silico evaluation. 206-212 - Premnath Dhanaraj, Akila Devadas, Indiraleka Muthiah:
A comparative meta-genomic analysis of HPV strains: A step towards the design, synthesis and characterization of noval quenazoline derivative for antiviral activity. 213-220 - Neha Charaya, Deepti Pandita, Ajmer Singh Grewal, Viney Lather:
Design, synthesis and biological evaluation of novel thiazol-2-yl benzamide derivatives as glucokinase activators. 221-229
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