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Molecular Informatics|October 26, 2022
Inhibitor Assessment against the LpxC Enzyme of Antibiotic-resistant Acinetobacter baumannii Using Virtual Screening, Dynamics Simulation, and in vitro AssaysManel Zoghlami, Maroua Oueslati, Zarrin Basharat, et al.
Molecular Informatics|August 18, 2015
MassCascade: Visual Programming for LC-MS Data Processing in MetabolomicsStephan Beisken, Mark Earll, David Portwood, et al.
Molecular Informatics|August 4, 2016
In Silico Investigation of a HIV-1 Vpr Inhibitor Binding Site: Potential for Virtual Screening and anti-HIV Drug DesignSy Bing Choi, Yee Siew Choong, Akiko Saito, et al.
Molecular Informatics|August 4, 2016
Development of a New De Novo Design Algorithm for Exploring Chemical SpaceKazuaki Mishima, Hiromasa Kaneko, Kimito Funatsu
Molecular Informatics|August 4, 2016
Development of Monopole Interaction Models for Ionic Compounds. Part I: Estimation of Aqueous Henry's Law Constants for Ions and Gas Phase pKa Values for Acidic CompoundsS H Hilal, A N Saravanaraj, L A Carreira
Molecular Informatics|August 4, 2016
Development of a New Decision Tree to Rapidly Screen Chemical Estrogenic Activities of Xenopus laevisTing Wang, Weiying Li, Xiaofeng Zheng, et al.
Molecular Informatics|August 4, 2016
Easy Identification of Residues Involved on Structural Differences Between Nonphosphorylated and Phosphorylated CDK2Cyclin A Complexes Using Two-Dimensional NetworksGonzalo Riadi, Julio Caballero
Molecular Informatics|August 4, 2016
Computational Search for Possible Mechanisms of 4-Thiazolidinones Anticancer Activity: The Power of VisualizationOleg Devinyak, Dmytro Havrylyuk, Borys Zimenkovsky, et al.
Molecular Informatics|August 4, 2016
Prediction of Signal Peptide Cleavage Sites with Subsite-Coupled and Template Matching Fusion AlgorithmShao-Wu Zhang, Ting-He Zhang, Jun-Nan Zhang, et al.
Molecular Informatics|August 4, 2016
Topological Fingerprints as an Aid in Finding Structural Patterns for LRRK2 InhibitionIiris Kahn, Andre Lomaka, Mati Karelson
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