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725 Newest Publications in computational biology and chemistry

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Molecular dynamic study of TMPA mediated dissociation of Nur77-LKB1 complex

01-Jul-2018 | Author(s): Ikrormi Rungsung, Muthukumaran Rajagopalan, Amutha Ramaswamy, Computational Biology and Chemistry, 2018

Publication date: Available online 30 June 2018 Source:Computational Biology and Chemistry Author(s): Ikrormi Rungsung, Muthukumaran Rajagopalan, Amutha Ramaswamy LKB1 protein is involved in the regulation of cell polarity by phosphorylating the AMPK under energetic stress conditions. ...

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A survey on chimeric UreB229-561-HpaA protein targeting Helicobacter pylori: Computational and in vitro urease activity valuation

24-Jun-2018 | Author(s): Alireza Salimi Chirani, Mona Ghazi, Mehdi Goudarzi, Shahin Najar Peerayeh, Hoorieh Soleimanjahi ..., Computational Biology and Chemistry, 2018

Publication date: October 2018 Source:Computational Biology and Chemistry, Volume 76 Author(s): Alireza Salimi Chirani, Mona Ghazi, Mehdi Goudarzi, Shahin Najar Peerayeh, Hoorieh Soleimanjahi, Masoud Dadashi, Bahareh Hajikhani Helicobacter pylori (H. pylori) as ...

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Tyrosinase inhibition by a rare neolignan: inhibition kinetics and mechanistic insights through in vitro and in silico studies

24-Jun-2018 | Author(s): Didem Şöhretoğlu, Suat Sari, Burak Barut, Arzu Özel, Computational Biology and Chemistry, 2018

Publication date: Available online 20 June 2018 Source:Computational Biology and Chemistry Author(s): Didem Şöhretoğlu, Suat Sari, Burak Barut, Arzu Özel Neolignans are a large group of polyphenols found in plants and exhibit a wide range of bioactivities including cytotoxicity, ...

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Identification of new drug-like compounds from millets as Xanthine oxidoreductase inhibitors for treatment of Hyperuricemia: A molecular docking and simulation study

17-Jun-2018 | Author(s): Rajesh Kumar Pathak, Ayushi Gupta, Rohit Shukla, Mamta Baunthiyal, Computational Biology and Chemistry, 2018

Publication date: October 2018 Source:Computational Biology and Chemistry, Volume 76 Author(s): Rajesh Kumar Pathak, Ayushi Gupta, Rohit Shukla, Mamta Baunthiyal Xanthine oxidoreductase plays an important role in formation of uric acid and its regulation during purine catabolism. ...

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C-PUGP: A cluster-based positive unlabeled learning method for disease gene prediction and prioritization

17-Jun-2018 | Author(s): Akram Vasighizaker, Saeed Jalili, Computational Biology and Chemistry, 2018

Publication date: October 2018 Source:Computational Biology and Chemistry, Volume 76 Author(s): Akram Vasighizaker, Saeed Jalili Disease gene detection is an important stage in the understanding disease processes and treatment. Some candidate disease genes are identified using many ...

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Computer-aided drug design and virtual screening of targeted combinatorial libraries of mixed-ligand transition metal complexes of 2-butanone thiosemicarbazone

10-Jun-2018 | Author(s): Tahmeena Khan, Rumana Ahmad, Iqbal Azad, Saman Raza, Seema Joshi, Abdul Rahman Khan, Computational Biology and Chemistry, 2018

Publication date: August 2018 Source:Computational Biology and Chemistry, Volume 75 Author(s): Tahmeena Khan, Rumana Ahmad, Iqbal Azad, Saman Raza, Seema Joshi, Abdul Rahman Khan The present paper deals with in silico evaluation of 32 virtually designed transition metal ...

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The Role of the Transient Receptor Potential Melastatin5 (TRPM5) Channels in the Pancreatic β-cell Electrical Activity: A Computational Modeling Study

10-Jun-2018 | Author(s): Sajjad Farashi, Pezhman Sasanpour, Hashem Rafii-Tabar, Computational Biology and Chemistry, 2018

Publication date: Available online 6 June 2018 Source:Computational Biology and Chemistry Author(s): Sajjad Farashi, Pezhman Sasanpour, Hashem Rafii-Tabar The TRPM5 channels are transient receptor potential channels whose presence in the human pancreatic β-cell has been confirmed. The ...

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Pharmacophore modeling, molecular docking and molecular dynamics simulations toward identifying lead compounds for Chk1

10-Jun-2018 | Author(s): Yaping Li, Jiale Peng, Yeheng Zhou, Penghua Li, Yingying Li, Xingyong Liu, Abu Nasar Siddiq ..., Computational Biology and Chemistry, 2018

Publication date: Available online 4 June 2018 Source:Computational Biology and Chemistry Author(s): Yaping Li, Jiale Peng, Yeheng Zhou, Penghua Li, Yingying Li, Xingyong Liu, Abu Nasar Siddique, Li Zhang, Zhili Zuo Checkpoint kinase 1 (Chk1), a serine/threonine protein ...

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Intramolecular energies of the cytotoxic protein CagA of Helicobacter pylori as a possible descriptor of strains’ pathogenicity level

03-Jun-2018 | Author(s): Diana F. Rojas-Rengifo, Maria Camila Alvarez-Silva, Cindy P. Ulloa-Guerrero, Vanessa Lucía Nuñez- ..., Computational Biology and Chemistry, 2018

Publication date: October 2018 Source:Computational Biology and Chemistry, Volume 76 Author(s): Diana F. Rojas-Rengifo, Maria Camila Alvarez-Silva, Cindy P. Ulloa-Guerrero, Vanessa Lucía Nuñez-Velez, Maria del Pilar Delgado, Sonia Milena Aguilera, Harold Castro, Carlos ...

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Statistical and artificial neural network-based analysis to understand complexity and heterogeneity in preeclampsia

03-Jun-2018 | Author(s): T. Murlidharan Nair, Computational Biology and Chemistry, 2018

Publication date: August 2018 Source:Computational Biology and Chemistry, Volume 75 Author(s): T. Murlidharan Nair Preeclampsia is a pregnancy associated disease. It is characterized by high blood pressure and symptoms that are indicative of damage to other organ systems, most often ...

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