PeruNPDB: the Peruvian Natural Products Database for in silico drug screening by Haruna L. Barazorda-Ccahuana, Lena Gálvez Ranilla, Mayron Antonio Candia-Puma, Eymi Gladys Cárcamo-Rodriguez, Angela Emperatriz Centeno-Lopez, Gonzalo Davila-Del-Carpio, José L. Medina-Franco, Miguel Angel Chávez-Fumagalli

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A Systematic Review and Meta-Analysis Comparing the Diagnostic Accuracy Tests of COVID-19 by Juan Jeferson Vilca-Alosilla, Mayron Antonio Candia-Puma, Katiusca Coronel-Monje, Luis Daniel Goyzueta-Mamani, Alexsandro Sobreira Galdino, Ricardo Andrez Machado-de-Ávila, Rodolfo Cordeiro Giunchetti, Eduardo Antonio Ferraz Coelho, Miguel Angel Chávez-Fumagalli

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Accuracy of Diagnostic Tests for the Detection of Chagas Disease: A Systematic Review and Meta-Analysis by Mayron Antonio Candia-Puma, Laura Yesenia Machaca-Luque, Brychs Milagros Roque-Pumahuanca, Alexsandro Sobreira Galdino, Rodolfo Cordeiro Giunchetti, Eduardo Antonio Ferraz Coelho, Miguel Angel Chávez-Fumagalli

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High content screening : science, techniques, and applications / by Haney, Steven A.

High content screening [compact disc] : science, techniques, and applications / by Haney, Steven A.

Targeting with Structural Analogs of Natural Products the Purine Salvage Pathway in <i>Leishmania (Leishmania) infantum</i> by Computer-Aided Drug-Design Approaches by Haruna Luz Barazorda-Ccahuana, Eymi Gladys Cárcamo-Rodriguez, Angela Emperatriz Centeno-Lopez, Alexsandro Sobreira Galdino, Ricardo Andrez Machado-de-Ávila, Rodolfo Cordeiro Giunchetti, Eduardo Antonio Ferraz Coelho, Miguel Angel Chávez-Fumagalli

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Computer-aided drug design approaches applied to screen natural product’s structural analogs targeting arginase in Leishmania spp [version 3; peer review: 1 approved, 2 approved wi... by Luis Daniel Goyzueta-Mamani, Mayron Antonio Candia Puma, Miguel Angel Chávez-Fumagalli, Haruna Luz Barazorda-Ccahuana, Daniela Pagliara Lage, Eduardo Antonio Ferraz Coelho, Camila Simões de Freitas, Grasiele de Sousa Vieria Tavares

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Computer-aided drug design approaches applied to screen natural product’s structural analogs targeting arginase in Leishmania spp [version 2; peer review: 1 approved, 2 approved wi... by Luis Daniel Goyzueta-Mamani, Mayron Antonio Candia Puma, Miguel Angel Chávez-Fumagalli, Haruna Luz Barazorda-Ccahuana, Daniela Pagliara Lage, Eduardo Antonio Ferraz Coelho, Camila Simões de Freitas, Grasiele de Sousa Vieria Tavares

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A novel survival prediction signature outperforms PAM50 and artificial intelligence-based feature-selection methods by Foo, Reuben Jyong Kiat, Tian, Siqi, Tan, Ern Yu, Goh, Wilson Wen Bin

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Model-guided metabolic gene knockout of gnd for enhanced succinate production in Escherichia coli from glucose and glycerol substrates by Mienda, B.S., Shamsir, M.S., Illias, R.Md.

Molecular scale study on the interactions of biocompatible nanoparticles with macrophage membrane and blood proteins by Mohammad Khedri, Fatemeh Afsharchi, Amirhosein Hasanpour Souderjani, Sima Rezvantalab, Mohsen Didandeh, Reza Maleki, Kiyan Musaie, Hélder A. Santos, Mohammad‐Ali Shahbazi

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Navigating the Chemical Space and Chemical Multiverse of a Unified Latin American Natural Product Database: LANaPDB by Alejandro Gómez-García, Daniel A. Acuña Jiménez, William J. Zamora, Haruna L. Barazorda-Ccahuana, Miguel Á. Chávez-Fumagalli, Marilia Valli, Adriano D. Andricopulo, Vanderlan da S. Bolzani, Dionisio A. Olmedo, Pablo N. Solís, Marvin J. Núñez, Johny R. Rodríguez Pérez, Hoover A. Valencia Sánchez, Héctor F. Cortés Hernández, José L. Medina-Franco

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AlphaFold2 and its applications in the fields of biology and medicine by Zhenyu Yang, Xiaoxi Zeng, Yi Zhao, Runsheng Chen

“…Protein structure prediction is one of the most challenging problems in computational biology and chemistry, and has puzzled scientists for 50 years. …”
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Analysis and prediction of pair-wise contacts in protein tertiary structures by Yan, Eugene Wenhui

“…Protein structure prediction has been one of the greatest challenges in the field of computational biology and chemistry. This report presents findings on the statistical analysis of secondary structure-related patterns exhibited by non-local contact-pairs, followed by the investigation of a simple predictive model using correlated mutational behavior arising from multiple sequence alignment of homologues, whilst using PSSM as a scoring function. …”
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Discovery of new inhibitor for the protein arginine deiminase type 4 (PAD4) by rational design of α-enolase-derived peptides by Ahmad Nadzirin, Izzuddin, Leow, Adam Thean Chor, Salleh, Abu Bakar, Abdul Rahman, Mohd Basyaruddin, Tejo, Bimo Ario

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Fragment hotspot mapping to drive the rational elaboration of fragment screening hits by Smilova, M

Mechanism Understanding of Li-ion Separation Using A Perovskite-Based Membrane by Mahsa Golmohammadi, Meysam Habibi, Sima Rezvantalab, Yasin Mehdizadeh Chellehbari, Reza Maleki, Amir Razmjou

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Deciphering the catalytic amino acid residues of L-2-haloacid dehalogenase (DehL) from Rhizobium sp. RC1: An in silico analysis by Adamu, A., Wahab, R. A., Shamsir, M. S., Aliyu, F., Huyop, F.

Computational Modeling and Design of New Inhibitors of Carbapenemases: A Discussion from the EPIC Alliance Network by Elias Dahdouh, Lisa Allander, Linda Falgenhauer, Bogdan I. Iorga, Stefano Lorenzetti, Íñigo Marcos-Alcalde, Nathaniel I. Martin, Luis Martínez-Martínez, Jesús Mingorance, Thierry Naas, Joseph E. Rubin, Francesca Spyrakis, Thomas Tängdén, Paulino Gómez-Puertas

“…The EPIC consortium brings together experts from a wide range of fields that include clinical, molecular and basic microbiology, infectious diseases, computational biology and chemistry, drug discovery and design, bioinformatics, biochemistry, biophysics, pharmacology, toxicology, veterinary sciences, environmental sciences, and epidemiology. …”
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A computational study of structural analysis of Class I human glucose-6-phosphate dehydrogenase (G6PD) variants: Elaborating the correlation to chronic non-spherocytic hemolytic an... by Alakbaree, Maysaa, Abdulsalam, Abbas Hashim, Ahmed, Haron H., Hasan Ali, Farah, Al-Hili, Ahmed, Omar, Mohd. Shahir Shamsir, Alonazi, Mona, Jamalis, Joazaizulfazli, Ab. Latif, Nurriza, Ahmed Hamza, Muaawia, Amran, Syazwani Itri