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ORCIDComputational Biology and Chemistry, Volume 80
Volume 80, June 2019
- Hongliang Wang, Xinzhi Ni
, Karen Harris-Shultz:
Molecular evolution of the plant ECERIFERUM1 and ECERIFERUM3 genes involved in aliphatic hydrocarbon production. 1-9 - Yunxiu Zhao, Xiaolong Xue, Xiaoli Xie:
An alignment-free measure based on physicochemical properties of amino acids for protein sequence comparison. 10-15 - 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. 16-22 - 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. 23-30 - 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. 31-45 - 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. 46-53 - 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. 54-65 - 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. 66-78 - 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. 79-89 - Jiaying You, Robert D. McLeod, Pingzhao Hu:
Predicting drug-target interaction network using deep learning model. 90-101 - 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. 102-110 - Jiangyong Wei, Tianshou Zhou, Xinan Zhang, Tianhai Tian:
SCOUT: A new algorithm for the inference of pseudo-time trajectory using single-cell data. 111-120 - Yuanyu He, Junhai Zhou, Yaping Lin, Tuanfei Zhu:
A class imbalance-aware Relief algorithm for the classification of tumors using microarray gene expression data. 121-127 - Azar Mostoufi, Raheleh Baghgoli, Masood Fereidoonnezhad:
Synthesis, cytotoxicity, apoptosis and molecular docking studies of novel phenylbutyrate derivatives as potential anticancer agents. 128-137 - Petronela Buiga, Ari Elson, Lydia Tabernero, Jean-Marc Schwartz:
Modelling the role of dual specificity phosphatases in herceptin resistant breast cancer cell lines. 138-146 - Jad Sabek, Paula Martínez-Pérez, Jaime García-Rupérez:
Computational binding study of cardiac troponin I antibody towards cardiac versus skeletal troponin I. 147-151 - 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. 152-158 - Jingli Wu, Qirong Cai, Jinyan Wang, Yuanxiu Liao:
Identifying mutated driver pathways in cancer by integrating multi-omics data. 159-167 - Mohammad Vahed, Gholamreza Ahmadian, Niyoosha Ameri, Majid Vahed:
G-rich VEGF aptamer as a potential inhibitor of chitin trafficking signal in emerging opportunistic yeast infection. 168-176 - Arnav K. Upadhyay, Sakshi Arora, Dhananjay K. Pandey, Bhupendra Chaudhary:
Interspersed 5′cis-regulatory elements ascertain the spatio-temporal transcription of cytoskeletal profilin gene family in Arabidopsis. 177-186 - 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. 187-194 - Shulin Wang, Ning Zhang, Xi Zhu, Jiangwei Yang, Shigui Li, Yuzhang Che, Weigang Liu, Huaijun Si:
Identification and expression analysis of StGRAS gene family in potato (Solanum tuberosum L.). 195-205 - Chayan Roy, Utpal Bakshi, Moidu Jameela Rameez, Subhrangshu Mandal, Prabir Kumar Haldar, Prosenjit Pyne, Wriddhiman Ghosh:
Phylogenomics of an uncultivated, aerobic and thermophilic, photoheterotrophic member of Chlorobia sheds light into the evolution of the phylum Chlorobi. 206-216 - 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. 217-224 - 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. 225-233 - Yuxuan Wang, Haiqiong Guo, Guanghui Tang, Qingxiu He, Yuping Zhang, Yong Hu, Yuanqiang Wang, Zhihua Lin:
A selectivity study of benzenesulfonamide derivatives on human carbonic anhydrase II/IX by 3D-QSAR, Molecular Docking and Molecular Dynamics Simulation. 234-243 - Shuang Li, Tifang Miao, Xianliang Fu, Fang Ma, Hui Gao, Guoping Zhang:
Theoretical study on the DNA interaction properties of copper(II) complexes. 244-248 - Yaghoub Pourshojaei, Ardavan Abiri, Razieh Eskandari, Fatemeh Dourandish, Khalil Eskandari, Ali Asadipour:
Synthesis, biological evaluation, and computational studies of novel fused six-membered O-containing heterocycles as potential acetylcholinesterase inhibitors. 249-258 - 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). 259-269 - Muhammed Tilahun Muhammed, Çagdas Devrim Son, Fatih Izgü:
Three dimensional structure prediction of panomycocin, a novel Exo-β-1, 3-glucanase isolated from Wickerhamomyces anomalus NCYC 434 and the computational site-directed mutagenesis studies to enhance its thermal stability for therapeutic applications. 270-277 - M. V. Yurushkin, L. R. Gervich, S. S. Bachurin, M. E. Kletskii:
Detection of nucleotide sequences capable of forming non-canonical DNA structures: Application of automata theory. 278-283 - Muhammad Naveed, Sana Tehreem, Muhammad Zubair Mehboob:
In-Silico analysis of missense SNPs in Human HPPD gene associated with Tyrosinemia type III and Hawkinsinuria. 284-291 - Ankur Chaudhuri, Nandagopal Hudait, Sibani Sen Chakraborty:
Pharmacophore modeling coupled with molecular dynamic simulation approach to identify new leads for meprin-β metalloprotease. 292-306 - Erol Eroglu:
DFT-based QSAR modelling of selectivity and inhibitory activity of coumarins and sulfocoumarins against tumor-associated carbonic anhydrase isoform IX. 307-313 - Chandan Kumar, Lakshmi P. T. V., Annamalai Arunachalam:
Structure based pharmacophore study to identify possible natural selective PARP-1 trapper as anti-cancer agent. 314-323 - Li-Xia Zhu, Qin Liu, Ya-Fang Hua, Ning Yang, Xue-Gang Zhang, Xi Ding:
Systematic Profiling and Evaluation of Structure-based Kinase-Inhibitor Interactome in Cervical Cancer by Integrating In Silico Analyses and In Vitro Assays at Molecular and Cellular Levels. 324-332 - Abhigyan Nath:
Prediction and molecular insights into fungal adhesins and adhesin like proteins. 333-340 - Ping Wang, Songbo Wang, Yong Chen, Xiaomin Xu, Xuanmin Guang, Youhua Zhang:
Genome-wide Analysis of the MADS-Box Gene Family in Watermelon. 341-350 - 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. 351-363 - 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. 364-373 - 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. 374-383 - Sara Sajjadi, Amruta Shirode, Sunil R. Vaidya, Sarah S. Cherian:
Molecular mechanism by which residues at position 481 and 546 of measles virus hemagglutinin protein define CD46 receptor binding using a molecular docking approach. 384-389 - Han Huang, Chen-Liang Chu, Lin Chen, Dong Shui:
Evaluation of potential inhibitors of squalene synthase based on virtual screening and in vitro studies. 390-397 - Vaijayanthi Raghavan, Maulishree Agrahari, Dhananjaya Kale Gowda:
Virtual screening of p53 mutants reveals Y220S as an additional rescue drug target for PhiKan083 with higher binding characteristics. 398-408 - José García-Nieto, Antonio J. Nebro, José Francisco Aldana Montes:
Inference of gene regulatory networks with multi-objective cellular genetic algorithm. 409-418 - Sayamon Hongjaisee, Chanin Nantasenamat, Tanawan Samleerat Carraway, Watshara Shoombuatong:
HIVCoR: A sequence-based tool for predicting HIV-1 CRF01_AE coreceptor usage. 419-432 - Opeyemi S. Soremekun, Fisayo A. Olotu, Clement Agoni, Mahmoud E. S. Soliman:
Drug promiscuity: Exploring the polypharmacology potential of 1, 3, 6-trisubstituted 1, 4-diazepane-7-ones as an inhibitor of the 'god father' of immune checkpoint. 433-440 - Watshara Shoombuatong, Nalini Schaduangrat, Reny Pratiwi, Chanin Nantasenamat:
THPep: A machine learning-based approach for predicting tumor homing peptides. 441-451 - 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. 452-462 - 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. 463-471 - 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. 472-479 - Panagiota Angeliki Galliou, Kleio-Maria Verrou, George Koliakos:
Phosphorylation mapping of laminin α1-chain: Kinases in association with active sites. 480-497 - Preetom Regon, Umakanta Chowra, Jay Prakash Awasthi, Pankaj Borgohain, Sanjib Kumar Panda:
Genome-wide analysis of magnesium transporter genes in Solanum lycopersicum. 498-511 - 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. 512-523
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