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ORCIDComputational Biology and Chemistry, Volume 87
Volume 87, August 2020
- Yosvany López, Abdollah Dehzangi
, Hamendra Manhar Reddy, Alok Sharma:
C-iSUMO: A sumoylation site predictor that incorporates intrinsic characteristics of amino acid sequences. 107235 - Shailima Rampogu, Gihwan Lee, Ravinder Doneti, Keun Woo Lee:
Short communication for targeting natural compounds against HER2 kinase domain as potential anticancer drugs applying pharmacophore based molecular modelling approaches- part 2. 107242 - Saurav Mandal, Shakti Nath Singh, Md. Zubbair Malik, R. K. Brojen Singh:
Stochastic method to control Mycobacterium tuberculosis epidemic. 107250 - Daniel Martínez-Zapata, Ruben Santamaria:
The damage of the Watson-Crick base pairs by nickel nanoparticles: A first-principles molecular dynamics study. 107262 - Sartaj Khurana, Kamran Waidha, Randeep Guleria, Shivani Sharda, Sudeep Bose:
In-silico investigations of selective miRNA-gene targets and their validation studies in obstructive sleep apnea (OSA) patient cohorts. 107264 - Mohd. Shahbaaz, Vladimir Potemkin, Krishna Bisetty, Md. Imtaiyaz Hassan, Mostafa A. Hussien:
Classification and functional analyses of putative virulence factors of Mycobacterium tuberculosis: A combined sequence and structure based study. 107270 - Julia Liang, Eleni Pitsillou, Abella Y. L. Man, Sibonginkosi Madzima, Sarah M. Bresnehan, Michael E. Nakai, Andrew Hung, Tom C. Karagiannis:
Utilisation of the OliveNet™ Library to investigate phenolic compounds using molecular modelling studies in the context of Alzheimer's disease. 107271 - Danrui Xiao, Zixun Fan, Wu Jiaqi, Hua Liu, Linghong Shen, Ben He, Min Zhang:
Rational molecular targeting of the inter-subunit interaction between human cardiac troponin hcTnC and hcTnI using switch peptide-competitive biogenic medicines. 107272 - Tevfik Hasan Can, Enis Fuat Tufekci, Yasemin Celik Altunoglu, Mehmet Cengiz Baloglu, Eulogio J. Llorent-Martínez, Azzurra Stefanucci, Adriano Mollica, Angelo Cichelli, Gokhan Zengin:
Chemical characterization, computational analysis and biological views on Daphne gnidioides Jaub. & Spach extracts: Can a new raw material be provided for biopharmaceutical applications? 107273 - Amisha Yadav, Roopshikha Sahu, Abhigyan Nath:
A representation transfer learning approach for enhanced prediction of growth hormone binding proteins. 107274 - Akash Ghosh, Gourisankar Roymahapatra, Debarati Paul, Santi M. Mandal:
Theoretical analysis of bacterial efflux pumps inhibitors: Strategies in-search of competent molecules and develop next. 107275 - María Leticia Ferrelli, María Laura García, Víctor Romanowski, Carina Andrea Reyes:
Identification of a microRNA encoded by Anticarsia gemmatalis multiple nucleopolyhedrovirus. 107276 - Tzong-Yi Lee, Kai-Yao Huang, Cheng-Hsiang Chuang, Cheng-Yang Lee, Tzu-Hao Chang:
Incorporating deep learning and multi-omics autoencoding for analysis of lung adenocarcinoma prognostication. 107277 - Chang-Yong Lee:
The fractal dimension as a measure for characterizing genetic variation of the human genome. 107278 - Felipe Valenzuela-Riffo, Luis Morales-Quintana:
Study of the structure and binding site features of FaEXPA2, an α-expansin protein involved in strawberry fruit softening. 107279 - Zhe Ju, Shi-Yun Wang:
Prediction of 2-hydroxyisobutyrylation sites by integrating multiple sequence features with ensemble support vector machine. 107280 - Yao Tong, Jiayin Wang, Tian Zheng, Xuanping Zhang, Xiao Xiao, Xiaoyan Zhu, Xin Lai, Xiang Liu:
SETE: Sequence-based Ensemble learning approach for TCR Epitope binding prediction. 107281 - Ximin Wu, Wei Lan, Qingfeng Chen, Yi Dong, Jin Liu, Wei Peng:
Inferring LncRNA-disease associations based on graph autoencoder matrix completion. 107282 - Hyundoo Jeong, Navadon Khunlertgit:
Effective single-cell clustering through ensemble feature selection and similarity measurements. 107283 - Maryam Hayati, Leonid Chindelevitch:
Computing the distribution of the Robinson-Foulds distance. 107284 - Qingyang Zhang, Ghadeer Mahdi, Jian Tinker, Hao Chen:
A graph-based multi-sample test for identifying pathways associated with cancer progression. 107285 - Hyunho Kim, Hojung Nam:
hERG-Att: Self-attention-based deep neural network for predicting hERG blockers. 107286 - Yulian Ding, Bolin Chen, Xiujuan Lei, Bo Liao, Fang-Xiang Wu:
Predicting novel CircRNA-disease associations based on random walk and logistic regression model. 107287 - Jingjing Shi, Yutang Huang, Chunjie Wen, Shuai He, Lanxiang Wu, Honghao Zhou:
Genome-wide identification and characterization of long non-coding RNAs involved in acquired resistance to gefitinib in non-small-cell lung cancer. 107288 - Weiyu Pan, Kui Lu, Weixia Wang, Junxia Yao, Yingyong Hou:
PALB2 as a potential prognostic biomarker for colorectal cancer. 107289 - E. Srinivasan, Nandhini Natarajan, R. Rajasekaran:
TTRMDB: A database for structural and functional analysis on the impact of SNPs over transthyretin (TTR) using bioinformatic tools. 107290 - Jarmila Nahálková:
Linking TPPII to the protein interaction and signalling networks. 107291 - Julia Liang, Eleni Pitsillou, Chris Karagiannis, Kevion K. Darmawan, Ken Ng, Andrew Hung, Tom C. Karagiannis:
Interaction of the prototypical α-ketoamide inhibitor with the SARS-CoV-2 main protease active site in silico: Molecular dynamic simulations highlight the stability of the ligand-protein complex. 107292 - Luana G. de Souza, Paula F. Moraes, Raquel A. C. Leão, Paulo R. R. Costa, Rosemberg O. Soares, Pedro Geraldo Pascutti, Jose D. Figueroa-Villar, Magdalena N. Rennó:
Theoretical studies and NMR assay of coumarins and neoflavanones derivatives as potential inhibitors of acetylcholinesterase. 107293 - Leandro Takeshi Hattori, Bruna Araujo Pinheiro, Rafael Bertolini Frigori, César Manuel Vargas Benítez, Heitor Silvério Lopes:
PathMolD-AB: Spatiotemporal pathways of protein folding using parallel molecular dynamics with a coarse-grained model. 107301 - Shuxiang Li, Shuqun Zhang, Dingyuan Chen, Xuan Jiang, Bin Liu, Hongbin Zhang, Munikishore Rachakunta, Zhili Zuo:
Identification of Novel TRPC5 Inhibitors by Pharmacophore-Based and Structure-Based Approaches. 107302 - Weikaixin Kong, Wenyu Wang, Jinbing An:
Prediction of 5-hydroxytryptamine transporter inhibitors based on machine learning. 107303 - Chaolu Meng, Fei Guo, Quan Zou:
CWLy-SVM: A support vector machine-based tool for identifying cell wall lytic enzymes. 107304 - Aizhan Rakhmetullina, Anna Pyrkova, Dana Aisina, Anatoliy Ivashchenko:
In silico prediction of human genes as potential targets for rice miRNAs. 107305 - Archana Pal Negi, Ratnesh Singh, Anupma Sharma, Vishal Singh Negi:
Insights into high mobility group A (HMGA) proteins from Poaceae family: An in silico approach for studying homologs. 107306 - Chen Gong, Xiaoxiong Zhang, Yunyun Niu:
Identification of epilepsy from intracranial EEG signals by using different neural network models. 107310 - Abir Sagaama, Olfa Noureddine, Silvia Antonia Brandán, Anna Jarczyk-Jedryka, Henryk T. Flakus, Houcine Ghalla, Noureddine Issaoui:
Molecular docking studies, structural and spectroscopic properties of monomeric and dimeric species of benzofuran-carboxylic acids derivatives: DFT calculations and biological activities. 107311 - Claudia Cava, Simone Pini, Donatella Taramelli, Isabella Castiglioni:
Perturbations of pathway co-expression network identify a core network in metastatic breast cancer. 107313 - Laijun Song, Chunyu Zhu, Wenxin Zheng, Dan Lu, Hong Jiao, Rongbing Zhao, Zhonglei Bao:
Computational systematic selectivity of the Fasalog inhibitors between ROCK-I and ROCK-II kinase isoforms in Alzheimer's disease. 107314 - Luciano Porto Kagami, Gustavo Machado das Neves, Luís Fernando S. M. Timmers, Rafael A. Caceres, Vera Lucia Eifler-Lima:
Geo-Measures: A PyMOL plugin for protein structure ensembles analysis. 107322
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