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An all-atom molecular dynamics study of the anti-interferon signaling of Ebola virus: interaction mechanisms of EBOV VP24 binding to Karyopherin alpha5. Mol. Biosyst. (IF 3.336) Pub Date : 2017-04-19 Jing-Na Ding,Yan-Jun Zhang,Hui Zhong,Cheng-Cheng Ao,Jing Li,Ju-Guang Han
Ebola virus (EBOV) is highly lethal due to virally encoded immune antagonists, and the combination of EBOV VP24 with karyopherin alpha (KPNA) will trigger anti-interferon (IFN) signaling. The crystal structure of VP24-KPNA5 has been proposed in recent studies, but the precise binding mechanisms are still unclear. In order to explore the VP24-KPNA5 protein binding micro-mechanisms, Molecular Dynamic
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A structural bioinformatics investigation on protein-DNA complexes delineates their modes of interaction. Mol. Biosyst. (IF 3.336) Pub Date : 2017-04-19 Simone Gardini,Simone Furini,Annalisa Santucci,Neri Niccolai
The lifetimes of protein-DNA adducts are strictly related to the various protein functions. This feature must be encoded by the amino acids located at the protein-DNA interface. The large number of structurally characterized protein-DNA complexes now available from the Protein Data Bank (PDB) allows extensive structural bioinformatics investigations on protein-DNA interfaces. The modes of protein binding
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Correction: Dynamic properties of dipeptidyl peptidase III from Bacteroides thetaiotaomicron and the structural basis for its substrate specificity – a computational study Mol. Biosyst. (IF 3.336) Pub Date : 2017-11-13 M. Tomin, S. Tomić
Correction for ‘Dynamic properties of dipeptidyl peptidase III from Bacteroides thetaiotaomicron and the structural basis for its substrate specificity – a computational study’ by M. Tomin et al., Mol. BioSyst., 2017, 13, 2407–2417.
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Pharmacology of predatory and defensive venom peptides in cone snails Mol. Biosyst. (IF 3.336) Pub Date : 2017-11-01 Jutty Rajan Prashanth, Sebastien Dutertre, Richard James Lewis
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Staphylococcus aureus extracellular vesicles (EVs): surface-binding antagonists of biofilm formation Mol. Biosyst. (IF 3.336) Pub Date : 2017-10-30 Hansol Im, Sujin Lee, Steven A. Soper, Robert J. Mitchell
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Mechanism of the formation of the RecA–ssDNA nucleoprotein filament structure: a coarse-grained approach Mol. Biosyst. (IF 3.336) Pub Date : 2017-10-27 Goutam Mukherjee, Arumay Pal, Yaakov Levy
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Conformational heterogeneity in tails of DNA-binding proteins is augmented by proline containing repeats Mol. Biosyst. (IF 3.336) Pub Date : 2017-10-26 Harshavardhan Khare, Debayan Dey, Chilakapati Madhu, Dillip Senapati, Srinivasarao Raghothama, Thimmaiah Govindaraju, Suryanarayanarao Ramakumar
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Imbalance in amino acid and purine metabolisms at the hypothalamus in inflammation-associated depression by GC-MS Mol. Biosyst. (IF 3.336) Pub Date : 2017-10-25 Yu Wu, Yonghong Li, Yanjuan Jia, Chaojun Wei, Hui Xu, Rui Guo, Yuanting Li, Jing Jia, Xiaoming Qi, Xiaoling Gao
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Development of an AlphaLISA high throughput technique to screen for small molecule inhibitors targeting protein arginine methyltransferases Mol. Biosyst. (IF 3.336) Pub Date : 2017-10-25 Lakshmi Prabhu, Lan Chen, Han Wei, Özlem Demir, Ahmad Safa, Lifan Zeng, Rommie E. Amaro, Bert H. O’Neil, Zhon-Yin Zhang, Tao Lu
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Host immune evasion strategies of malaria blood stage parasite Mol. Biosyst. (IF 3.336) Pub Date : 2017-10-23 Xue Yan Yam, Peter R. Preiser
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An interaction network approach to study the correlation between endocrine disrupting chemicals and breast cancer Mol. Biosyst. (IF 3.336) Pub Date : 2017-10-20 Andrea Polo, Chiara Nittoli, Anna Crispo, Teresa Langastro, Stefania Cocco, Lorella Severino, Michelino De Laurentiis, Gennaro Ciliberto, Maurizio Montella, Alfredo Budillon, Susan Costantini
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Model system based proteomics to understand the host response during bacterial infections Mol. Biosyst. (IF 3.336) Pub Date : 2017-10-19 Arumugam Kamaladevi, Shanmugam Marudhupandiyan, Krishnaswamy Balamurugan
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The nucleosomal surface is the main target of histone ADP-ribosylation in response to DNA damage Mol. Biosyst. (IF 3.336) Pub Date : 2017-10-16 Kelly R. Karch, Marie-France Langelier, John M. Pascal, Benjamin A. Garcia
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Methods for monitoring and measurement of protein translation in time and space Mol. Biosyst. (IF 3.336) Pub Date : 2017-10-12 Maria Dermit, Martin Dodel, Faraz K. Mardakheh
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Prediction of drug–pathway interaction pairs with a disease-combined LSA-PU-KNN method Mol. Biosyst. (IF 3.336) Pub Date : 2017-10-12 Fan-Shu Chen, Hui-Yan Jiang, Zhenran Jiang
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Insights into human intrinsically disordered proteins from their gene expression profile Mol. Biosyst. (IF 3.336) Pub Date : 2017-10-11 Arup Panda, Debarun Acharya, Tapash Chandra Ghosh
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Pre-steady-state kinetic analysis of damage recognition by human single-strand selective monofunctional uracil-DNA glycosylase SMUG1 Mol. Biosyst. (IF 3.336) Pub Date : 2017-10-11 Alexandra A. Kuznetsova, Danila A. Iakovlev, Inna V. Misovets, Alexander A. Ishchenko, Murat K. Saparbaev, Nikita A. Kuznetsov, Olga S. Fedorova
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MicroRNA-590-5p regulates cell viability, apoptosis, migration and invasion of renal cell carcinoma cell lines through targeting ARHGAP24 Mol. Biosyst. (IF 3.336) Pub Date : 2017-10-11 Lei Wang, Wan-qing Wei, Zi-yu Wu, Gong-cheng Wang
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NARRMDA: negative-aware and rating-based recommendation algorithm for miRNA–disease association prediction Mol. Biosyst. (IF 3.336) Pub Date : 2017-10-11 Lihong Peng, Yeqing Chen, Ning Ma, Xing Chen
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Molecular dynamics simulations of β2-microglobulin interaction with hydrophobic surfaces Mol. Biosyst. (IF 3.336) Pub Date : 2017-10-09 Cedrix J. Dongmo Foumthuim, Alessandra Corazza, Gennaro Esposito, Federico Fogolari
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Exploring the role of GS–GOGAT cycle in microcystin synthesis and regulation – a model based analysis Mol. Biosyst. (IF 3.336) Pub Date : 2017-10-05 Swarnendu Banerjee, Abhishek Subramanian, Joydev Chattopadhyay, Ram Rup Sarkar
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A Bayesian approach for estimating protein–protein interactions by integrating structural and non-structural biological data Mol. Biosyst. (IF 3.336) Pub Date : 2017-10-05 Hafeez Ur Rehman, Inam Bari, Anwar Ali, Haroon Mahmood
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Protein–protein interaction networks as a new perspective to evaluate distinct functional roles of voltage-dependent anion channel isoforms Mol. Biosyst. (IF 3.336) Pub Date : 2017-10-04 Marianna Caterino, Margherita Ruoppolo, Annalisa Mandola, Michele Costanzo, Stefania Orrù, Esther Imperlini
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Hybrid deterministic/stochastic simulation of complex biochemical systems Mol. Biosyst. (IF 3.336) Pub Date : 2017-09-29 Paola Lecca, Fabio Bagagiolo, Marina Scarpa
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Evaluation and optimization of reduction and alkylation methods to maximize peptide identification with MS-based proteomics Mol. Biosyst. (IF 3.336) Pub Date : 2017-09-20 Suttipong Suttapitugsakul, Haopeng Xiao, Johanna Smeekens, Ronghu Wu
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Role of solvent properties of water in crowding effects induced by macromolecular agents and osmolytes Mol. Biosyst. (IF 3.336) Pub Date : 2017-09-20 L. A. Ferreira, V. N. Uversky, B. Y. Zaslavsky
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Computational identification of protein S-sulfenylation sites by incorporating the multiple sequence features information Mol. Biosyst. (IF 3.336) Pub Date : 2017-09-18 Md. Mehedi Hasan, Dianjing Guo, Hiroyuki Kurata
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Hedgehog-mesenchyme gene signature identifies bi-modal prognosis in luminal and basal breast cancer sub-types Mol. Biosyst. (IF 3.336) Pub Date : 2017-09-07 Wandaliz Torres-García, Maribella Domenech
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Correction: Dynamic properties of dipeptidyl peptidase III from Bacteroides thetaiotaomicron and the structural basis for its substrate specificity – a computational study Mol. Biosyst. (IF 3.336) Pub Date : 2017-11-13 M. Tomin, S. Tomić
Correction for ‘Dynamic properties of dipeptidyl peptidase III from Bacteroides thetaiotaomicron and the structural basis for its substrate specificity – a computational study’ by M. Tomin et al., Mol. BioSyst., 2017, 13, 2407–2417.
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Imbalance in amino acid and purine metabolisms at the hypothalamus in inflammation-associated depression by GC-MS Mol. Biosyst. (IF 3.336) Pub Date : 2017-10-25 Yu Wu, Yonghong Li, Yanjuan Jia, Chaojun Wei, Hui Xu, Rui Guo, Yuanting Li, Jing Jia, Xiaoming Qi, Xiaoling Gao
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Staphylococcus aureus extracellular vesicles (EVs): surface-binding antagonists of biofilm formation Mol. Biosyst. (IF 3.336) Pub Date : 2017-10-30 Hansol Im, Sujin Lee, Steven A. Soper, Robert J. Mitchell
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Mechanism of the formation of the RecA–ssDNA nucleoprotein filament structure: a coarse-grained approach Mol. Biosyst. (IF 3.336) Pub Date : 2017-10-27 Goutam Mukherjee, Arumay Pal, Yaakov Levy
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Conformational heterogeneity in tails of DNA-binding proteins is augmented by proline containing repeats Mol. Biosyst. (IF 3.336) Pub Date : 2017-10-26 Harshavardhan Khare, Debayan Dey, Chilakapati Madhu, Dillip Senapati, Srinivasarao Raghothama, Thimmaiah Govindaraju, Suryanarayanarao Ramakumar
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Development of an AlphaLISA high throughput technique to screen for small molecule inhibitors targeting protein arginine methyltransferases Mol. Biosyst. (IF 3.336) Pub Date : 2017-10-25 Lakshmi Prabhu, Lan Chen, Han Wei, Özlem Demir, Ahmad Safa, Lifan Zeng, Rommie E. Amaro, Bert H. O’Neil, Zhon-Yin Zhang, Tao Lu
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Pharmacology of predatory and defensive venom peptides in cone snails Mol. Biosyst. (IF 3.336) Pub Date : 2017-11-01 Jutty Rajan Prashanth, Sebastien Dutertre, Richard James Lewis
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Host immune evasion strategies of malaria blood stage parasite Mol. Biosyst. (IF 3.336) Pub Date : 2017-10-23 Xue Yan Yam, Peter R. Preiser
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Model system based proteomics to understand the host response during bacterial infections Mol. Biosyst. (IF 3.336) Pub Date : 2017-10-19 Arumugam Kamaladevi, Shanmugam Marudhupandiyan, Krishnaswamy Balamurugan
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An interaction network approach to study the correlation between endocrine disrupting chemicals and breast cancer Mol. Biosyst. (IF 3.336) Pub Date : 2017-10-20 Andrea Polo, Chiara Nittoli, Anna Crispo, Teresa Langastro, Stefania Cocco, Lorella Severino, Michelino De Laurentiis, Gennaro Ciliberto, Maurizio Montella, Alfredo Budillon, Susan Costantini
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The Henipavirus V protein is a prevalently unfolded protein with a zinc-finger domain involved in binding to DDB1 Mol. Biosyst. (IF 3.336) Pub Date : 2017-09-26 Edoardo Salladini, Vincent Delauzun, Sonia Longhi
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PANDAR: a pivotal cancer-related long non-coding RNA in human cancers Mol. Biosyst. (IF 3.336) Pub Date : 2017-09-26 Jinglin Li, Zhenglong Li, Wangyang Zheng, Xinheng Li, Zhidong Wang, Yunfu Cui, Xingming Jiang
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A computational method using differential gene expression to predict altered metabolism of multicellular organisms Mol. Biosyst. (IF 3.336) Pub Date : 2017-09-22 Lvxing Zhu, Haoran Zheng, Xinying Hu, Yang Xu
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Lipidomic alterations of in vitro macrophage infection by L. infantum and L. amazonensis Mol. Biosyst. (IF 3.336) Pub Date : 2017-09-20 Fernanda Negrão, Daniel R. Abánades, Caroline F. Jaeeger, Daniele F. O. Rocha, Katia R. A. Belaz, Selma Giorgio, Marcos N. Eberlin, Célio F. F. Angolini
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Modelling the propagation of a dynamical signature in gene expression mediated by the transport of extracellular microRNAs Mol. Biosyst. (IF 3.336) Pub Date : 2017-09-18 Alexis Grau Ribes, Yannick De Decker, Claude Gérard, Laurence Rongy
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HIV/HAART-associated oxidative stress is detectable by metabonomics Mol. Biosyst. (IF 3.336) Pub Date : 2017-09-18 Aurelia A. Williams, Lungile J. Sitole, Debra Meyer
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Imperfect crowding adaptation of mammalian cells towards osmotic stress and its modulation by osmolytes Mol. Biosyst. (IF 3.336) Pub Date : 2017-09-14 David Gnutt, Oliver Brylski, Eugen Edengeiser, Martina Havenith, Simon Ebbinghaus
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Metabolomics reveal mitochondrial and fatty acid metabolism disorders that contribute to the development of DKD in T2DM patients Mol. Biosyst. (IF 3.336) Pub Date : 2017-09-14 Ling Li, Chengshi Wang, Hongliu Yang, Shuyun Liu, Yanrong Lu, Ping Fu, Jingping Liu
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Screening for concanavalin A binders from a mannose-modified α-helix peptide phage library Mol. Biosyst. (IF 3.336) Pub Date : 2017-09-13 Iou Ven Chang, Hiroshi Tsutsumi, Hisakazu Mihara
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Dynamic properties of dipeptidyl peptidase III from Bacteroides thetaiotaomicron and the structural basis for its substrate specificity – a computational study Mol. Biosyst. (IF 3.336) Pub Date : 2017-09-12 M. Tomin, S. Tomić
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Gene co-opening network deciphers gene functional relationships Mol. Biosyst. (IF 3.336) Pub Date : 2017-09-12 Wenran Li, Meng Wang, Jinghao Sun, Yong Wang, Rui Jiang
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Identification of a suitable promoter for the sigma factor of Mycobacterium tuberculosis Mol. Biosyst. (IF 3.336) Pub Date : 2017-09-12 A. Mallick Gupta, S. Mukherjee, A. Dutta, J. Mukhopadhyay, D. Bhattacharyya, S. Mandal
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Methylglyoxal attenuates insulin signaling and downregulates the enzymes involved in cholesterol biosynthesis Mol. Biosyst. (IF 3.336) Pub Date : 2017-09-07 Arati B. Deshmukh, Shakuntala Bai, Aarthy T., Rubina S. Kazi, Reema Banarjee, Rajeshwari Rathore, Vijayakumar MV, Thulasiram HV, Manoj Kumar Bhat, Kulkarni MJ
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Computational study on the origin of the cancer immunotherapeutic potential of B and T cell epitope peptides Mol. Biosyst. (IF 3.336) Pub Date : 2017-09-07 Hao Li, Nalini Schaduangrat, Saw Simeon, Chanin Nantasenamat
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A novel method for identifying potential disease-related miRNAs via a disease–miRNA–target heterogeneous network Mol. Biosyst. (IF 3.336) Pub Date : 2017-09-05 Liang Ding, Minghui Wang, Dongdong Sun, Ao Li
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Real-time activity assays of β-lactamases in living bacterial cells: application to the inhibition of antibiotic-resistant E. coli strains Mol. Biosyst. (IF 3.336) Pub Date : 2017-09-04 Ying Ge, Ya-Jun Zhou, Ke-Wu Yang, Yi-Lin Zhang, Yang Xiang, Yue-Juan Zhang
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Investigation of a common gene expression signature in gastrointestinal cancers using systems biology approaches Mol. Biosyst. (IF 3.336) Pub Date : 2017-09-04 Kaveh Baghaei, Nazanin Hosseinkhan, Hamid Asadzadeh Aghdaei, M. R. Zali
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Long non-coding RNA SNHG17 is an unfavourable prognostic factor and promotes cell proliferation by epigenetically silencing P57 in colorectal cancer Mol. Biosyst. (IF 3.336) Pub Date : 2017-08-31 Zhonghua Ma, Shengying Gu, Min Song, Changsheng Yan, Bingqing Hui, Hao Ji, Jirong Wang, Jianping Zhang, Keming Wang, Qinghong Zhao
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CarSite: identifying carbonylated sites of human proteins based on a one-sided selection resampling method Mol. Biosyst. (IF 3.336) Pub Date : 2017-08-31 Yun Zuo, Cang-Zhi Jia
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Mass spectrometry based identification of galectin-3 interacting proteins potentially involved in lung melanoma metastasis Mol. Biosyst. (IF 3.336) Pub Date : 2017-08-25 Manohar C. Dange, Hemangi S. Bhonsle, Rashmi K. Godbole, Shyam K. More, Sanjay M. Bane, Mahesh J. Kulkarni, Rajiv D. Kalraiya
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Enantioselective recognition of an isomeric ligand by a biomolecule: mechanistic insights into static and dynamic enantiomeric behavior and structural flexibility Mol. Biosyst. (IF 3.336) Pub Date : 2017-08-18 Wei Peng, Fei Ding
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