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Computational Biology and Chemistry, Volume 79
Volume 79, April 2019
- Fang-liang Huang, Yang Zhang, Lin-ping Zhang, Shu Wang, Ye Feng, Nian-hang Rong:

Complete genome sequence of Bacillus megaterium JX285 isolated from Camellia oleifera rhizosphere. 1-5 - Md. Lisul Islam, Swakkhar Shatabda, Mahmood A. Rashid

, M. G. M. Khan, M. Sohel Rahman:
Protein structure prediction from inaccurate and sparse NMR data using an enhanced genetic algorithm. 6-15 - Mona Shafaghi

, Ali Akbar Shabani, Zarrin Minuchehr
:
Rational design of hyper-glycosylated human luteinizing hormone analogs (a bioinformatics approach). 16-23 - Manoj Kumar Gupta

, Ramakrishna Vadde
:
Identification and characterization of differentially expressed genes in Type 2 Diabetes using in silico approach. 24-35 - Vinícius Guimarães da Paixão, Samuel Silva da Rocha Pita

:
In silico identification and evaluation of new Trypanosoma cruzi trypanothione reductase (TcTR) inhibitors obtained from natural products database of the Bahia semi-arid region (NatProDB). 36-47 - Laurent Soulère, Yves Queneau

:
Conformational and docking studies of acyl homoserine lactones as a robust method to investigate bioactive conformations. 48-54 - Snezana Ciric Zdravkovic, Milan Pavlovic

, Svetlana Apostlovic, Goran Koracevic, Sonja Salinger Martinovic
, Dragana Stanojevic
, Dusan Sokolovic
, Aleksandar M. Veselinovic:
Development and design of novel cardiovascular therapeutics based on Rho kinase inhibition - In silico approach. 55-62 - Neetu Agrawal

, Pradeep Mishra:
Synthesis, monoamine oxidase inhibitory activity and computational study of novel isoxazole derivatives as potential antiparkinson agents. 63-72 - S. Murugavel

, Chandrasekaran Ravikumar
, G. Jaabil, Ponnuswamy Alagusundaram:
Synthesis, computational quantum chemical study, in silico ADMET and molecular docking analysis, in vitro biological evaluation of a novel sulfur heterocyclic thiophene derivative containing 1, 2, 3-triazole and pyridine moieties as a potential human topoisomerase IIα inhibiting anticancer agent. 73-82 - Surabhi Johari, Ashwani Sharma, Subrata Sinha

, Aparoop Das:
Integrating pharmacophore mapping, virtual screening, density functional theory, molecular simulation towards the discovery of novel apolipoprotein (apoE ε4) inhibitors. 83-90 - Reaz Uddin

, Noor-ul-Ain Zahra, Syed Sikander Azam
:
Identification of glucosyl-3-phosphoglycerate phosphatase as a novel drug target against resistant strain of Mycobacterium tuberculosis (XDR1219) by using comparative metabolic pathway approach. 91-102 - Seyed Mahmoud Sadjjadi

, Mohammad Ebrahimipour
, Fatemeh Sadat Sadjjadi:
Comparison between Echinococcus granulosus sensu stricto (G1) and E. canadensis (G6) mitochondrial genes (cox1 and nad1) and their related protein models using experimental and bioinformatics analysis. 103-109 - Siva Jyothi Buggana, Mani Chandrika Paturi, Harathi Perka, Deepak Reddy Gade

, V. V. S. Rajendra Prasad:
Novel 2, 4-disubstituted quinazolines as cytotoxic agents and JAK2 inhibitors: Synthesis, in vitro evaluation and molecular dynamics studies. 110-118 - Tahereh Mostashari-Rad

, Lotfollah Saghaie, Afshin Fassihi:
Gp41 inhibitory activity prediction of theaflavin derivatives using ligand/structure-based virtual screening approaches. 119-126 - S. M. Zahid Hosen

, Raju Dash
, Md. Junaid
, Sarmistha Mitra, Nurul Absar
:
Identification and structural characterization of deleterious non-synonymous single nucleotide polymorphisms in the human SKP2 gene. 127-136 - Lubna Sherin, Ayesha Sohail

, Shahida Shujaat:
Time-dependent AI-Modeling of the anticancer efficacy of synthesized gallic acid analogues. 137-146 - Mohammad A. Khanfar

, Saja AlQtaishat:
Discovery of potent IRAK-4 inhibitors as potential anti-inflammatory and anticancer agents using structure-based exploration of IRAK-4 pharmacophoric space coupled with QSAR analyses. 147-154 - Emmanuel S. Adabor, George K. Acquaah-Mensah:

Restricted-derestricted dynamic Bayesian Network inference of transcriptional regulatory relationships among genes in cancer. 155-164 - Yingying Li, Jiale Peng, Penghua Li

, Haibo Du, Yaping Li, Xingyong Liu, Li Zhang, Liang-Liang Wang, Zhili Zuo:
Identification of potential AMPK activator by pharmacophore modeling, molecular docking and QSAR study. 165-176 - Xiaohui Zhao, Yuanyuan Zhao, Zhixing Ren

, Yu Li:
Combined QSAR/QSPR and molecular docking study on fluoroquinolones to reduce biological enrichment. 177-184 - Yong Liu, Cristian R. Munteanu

, Zhiwei Kong, Tao Ran
, Alfredo Sahagún-Ruiz
, Zhixiong He
, Chuanshe Zhou, Zhiliang Tan:
Identification of coenzyme-binding proteins with machine learning algorithms. 185-192 - Atul Kumar Jaiswal

, Annangarachari Krishnamachari:
Physicochemical property based computational scheme for classifying DNA sequence elements of Saccharomyces cerevisiae. 193-201

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