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Publication search results
found 54 matches
- 2019
- T. K. Shameera Ahamed, Vijisha K. Rajan, K. Sabira, K. Muraleedharan:
DFT and QTAIM based investigation on the structure and antioxidant behavior of lichen substances Atranorin, Evernic acid and Diffractaic acid. Comput. Biol. Chem. 80: 66-78 (2019) - Mahmoud A. Al-Sha'er, Qosay A. E. Al-Balas, Mohammad A. Hassan, Ghazi A. Al Jabal, Ammar M. Almaaytah:
Combination of pharmacophore modeling and 3D-QSAR analysis of potential glyoxalase-I inhibitors as anticancer agents. Comput. Biol. Chem. 80: 102-110 (2019) - Ajay N. Ambhore, Sonali S. Kamble, Shuddhodan N. Kadam, Rahul D. Kamble, Madhav J. Hebade, Shrikant V. Hese, Milind V. Gaikwad, Rohan J. Meshram, Rajesh N. Gacche, Bhaskar S. Dawane:
Design, synthesis and in silico study of pyridine based 1, 3, 4-oxadiazole embedded hydrazinecarbothioamide derivatives as potent anti-tubercular agent. Comput. Biol. Chem. 80: 54-65 (2019) - Milica Z. Karadzic Banjac, Strahinja Z. Kovacevic, Lidija R. Jevric, Sanja O. Podunavac-Kuzmanovic, Anamarija I. Mandic:
On the characterization of novel biologically active steroids: Selection of lipophilicity models of newly synthesized steroidal derivatives by classical and non-parametric ranking approaches. Comput. Biol. Chem. 80: 23-30 (2019) - Daria A. Belinskaia, Pavel V. Avdonin, Piotr P. Avdonin, Richard O. Jenkins, Nikolay V. Goncharov:
Rational in silico design of aptamers for organophosphates based on the example of paraoxon. Comput. Biol. Chem. 80: 452-462 (2019) - Petronela Buiga, Ari Elson, Lydia Tabernero, Jean-Marc Schwartz:
Modelling the role of dual specificity phosphatases in herceptin resistant breast cancer cell lines. Comput. Biol. Chem. 80: 138-146 (2019) - Ankur Chaudhuri, Nandagopal Hudait, Sibani Sen Chakraborty:
Pharmacophore modeling coupled with molecular dynamic simulation approach to identify new leads for meprin-β metalloprotease. Comput. Biol. Chem. 80: 292-306 (2019) - Dhara M. Chhatbar, Udit J. Chaube, Vivek K. Vyas, Hardik G. Bhatt:
CoMFA, CoMSIA, Topomer CoMFA, HQSAR, molecular docking and molecular dynamics simulations study of triazine morpholino derivatives as mTOR inhibitors for the treatment of breast cancer. Comput. Biol. Chem. 80: 351-363 (2019) - Mansoureh Shahbazi Dastjerdeh, Mahya Marashiyan, Mohammadtaghi Borjian Boroujeni, Majid Golkar, Mohammad Ali Shokrgozar, Hamzeh Rahimi:
In silico analysis of different signal peptides for the secretory production of recombinant human keratinocyte growth factor in Escherichia coli. Comput. Biol. Chem. 80: 225-233 (2019) - Djordje Djordjevic, Joshua Y. S. Tang, Yun Xin Chen, Shu Lun Shannon Kwan, Raymond W. K. Ling, Gordon Qian, Chelsea Y. Y. Woo, Samuel J. Ellis, Joshua Wing Kei Ho:
Discovery of perturbation gene targets via free text metadata mining in Gene Expression Omnibus. Comput. Biol. Chem. 80: 152-158 (2019) - Sercan Ergün:
Cross-Kingdom Gene regulation via miRNAs of Hypericum perforatum (St. John's wort) flower dietetically absorbed: An in silico approach to define potential biomarkers for prostate cancer. Comput. Biol. Chem. 80: 16-22 (2019) - Erol Eroglu:
DFT-based QSAR modelling of selectivity and inhibitory activity of coumarins and sulfocoumarins against tumor-associated carbonic anhydrase isoform IX. Comput. Biol. Chem. 80: 307-313 (2019) - Panagiota Angeliki Galliou, Kleio-Maria Verrou, George Koliakos:
Phosphorylation mapping of laminin α1-chain: Kinases in association with active sites. Comput. Biol. Chem. 80: 480-497 (2019) - Yangjing Gan, Yi Rong, Fei Huang, Lun Hu, Xiaohan Yu, Pengfei Duan, Shengwu Xiong, Haiping Liu, Jing Peng, Xiaohui Yuan:
Automatic hierarchy classification in venation networks using directional morphological filtering for hierarchical structure traits extraction. Comput. Biol. Chem. 80: 187-194 (2019) - José García-Nieto, Antonio J. Nebro, José Francisco Aldana Montes:
Inference of gene regulatory networks with multi-objective cellular genetic algorithm. Comput. Biol. Chem. 80: 409-418 (2019) - Ahmad Kamal M. Hamid, Joanna C. Salvatore, Ke Wang, Prashantha Murahari, Andrea Guljas, Anita Rágyanszki, Michael Owen, Balázs Jójárt, Milán Szori, Imre G. Csizmadia, Béla Viskolcz, Béla Fiser:
Oxidatively-mediated in silico epimerization of a highly amyloidogenic segment in the human calcitonin hormone (hCT15-19). Comput. Biol. Chem. 80: 259-269 (2019) - Yuanyu He, Junhai Zhou, Yaping Lin, Tuanfei Zhu:
A class imbalance-aware Relief algorithm for the classification of tumors using microarray gene expression data. Comput. Biol. Chem. 80: 121-127 (2019) - Sayamon Hongjaisee, Chanin Nantasenamat, Tanawan Samleerat Carraway, Watshara Shoombuatong:
HIVCoR: A sequence-based tool for predicting HIV-1 CRF01_AE coreceptor usage. Comput. Biol. Chem. 80: 419-432 (2019) - Han Huang, Chen-Liang Chu, Lin Chen, Dong Shui:
Evaluation of potential inhibitors of squalene synthase based on virtual screening and in vitro studies. Comput. Biol. Chem. 80: 390-397 (2019) - K. P. Safna Hussan, M. Shahin Thayyil, Vijisha K. Rajan, K. Muraleedharan:
DFT studies on global parameters, antioxidant mechanism and molecular docking of amlodipine besylate. Comput. Biol. Chem. 80: 46-53 (2019) - Mahmoud A. A. Ibrahim, Alaa H. M. Abdelrahman, Alaa M. A. Hassan:
Identification of novel Plasmodium falciparum PI4KB inhibitors as potential anti-malarial drugs: Homology modeling, molecular docking and molecular dynamics simulations. Comput. Biol. Chem. 80: 79-89 (2019) - Md. Jahirul Islam, Md. Rimon Parves, Shafi Mahmud, Fahmida Alam Tithi, Md. Abu Reza:
Assessment of structurally and functionally high-risk nsSNPs impacts on human bone morphogenetic protein receptor type IA (BMPR1A) by computational approach. Comput. Biol. Chem. 80: 31-45 (2019) - Fusong Ju, Jingwei Zhang, Dongbo Bu, Yan Li, Jinyu Zhou, Hui Wang, Yaojun Wang, Chuncui Huang, Shiwei Sun:
De novo glycan structural identification from mass spectra using tree merging strategy. Comput. Biol. Chem. 80: 217-224 (2019) - Fusun Kazan, Z. Begum Yagci, Ruoli Bai, Elif Ozkirimli, Ernest Hamel, Sumru Ozkirimli:
Synthesis and biological evaluation of indole-2-carbohydrazides and thiazolidinyl-indole-2-carboxamides as potent tubulin polymerization inhibitors. Comput. Biol. Chem. 80: 512-523 (2019) - Chandan Kumar, Lakshmi P. T. V., Annamalai Arunachalam:
Structure based pharmacophore study to identify possible natural selective PARP-1 trapper as anti-cancer agent. Comput. Biol. Chem. 80: 314-323 (2019) - Shuang Li, Tifang Miao, Xianliang Fu, Fang Ma, Hui Gao, Guoping Zhang:
Theoretical study on the DNA interaction properties of copper(II) complexes. Comput. Biol. Chem. 80: 244-248 (2019) - Juntao Li, Yadi Wang, Huimin Xiao, Cunshuan Xu:
Gene selection of rat hepatocyte proliferation using adaptive sparse group lasso with weighted gene co-expression network analysis. Comput. Biol. Chem. 80: 364-373 (2019) - Pavan Kumar Machiraju, Poornachandra Yedla, Satya Prakash Gubbala, Taher Bohari, Jaleel K. V. Abdul, Shili Xu, Rahul Patel, Venkata Ramana Reddy Chittireddy, Kiran Boppana, Sarma A. R. P. Jagarlapudi, Nouri Neamati, Riyaz Syed, Ramars Amanchy:
Identification, synthesis and evaluation of CSF1R inhibitors using fragment based drug design. Comput. Biol. Chem. 80: 374-383 (2019) - Elham Manouchehrizadeh, Azar Mostoufi, Elham Tahanpesar, Masood Fereidoonnezhad:
Alignment-independent 3D-QSAR and molecular docking studies of tacrine-4-oxo-4H-Chromene hybrids as anti-Alzheimer's agents. Comput. Biol. Chem. 80: 463-471 (2019) - Tariq Ahmad Masoodi, Noor Ahmad Shaik, Syed Burhan, Qurratulain Hasan, Gowhar Shafi, Venkateswara Rao Talluri:
Structural prediction, whole exome sequencing and molecular dynamics simulation confirms p.G118D somatic mutation of PIK3CA as functionally important in breast cancer patients. Comput. Biol. Chem. 80: 472-479 (2019)
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