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Molecular Informatics|January 24, 2022
Development and Evaluation of Peptidomimetic Compounds against SARS-CoV-2 Spike Protein: An in silico and in vitro StudyOmid Zarei, Hannah Kleine-Weber, Markus Hoffmann, et al.Molecular Informatics|March 26, 2022
Drug Repurposing for Newly Emerged Diseases via Network-based Inference on a Gene-disease-drug NetworkLi Qin, Jiye Wang, Zengrui Wu, et al.Molecular Informatics|October 18, 2021
A Dataset of Computational Reaction Barriers for the Claisen Rearrangement: Chemical and Numerical AnalysisHiroaki Okada, Satoshi MaedaMolecular Informatics|March 24, 2022
MFPS_CNN: Multi-filter Pattern Scanning from Position-specific Scoring Matrix with Convolutional Neural Network for Efficient Prediction of Ion TransportersTrinh-Trung-Duong Nguyen, Quang-Thai Ho, Yu-Chun Tarn, et al.Molecular Informatics|September 22, 2016
Matrix-based Molecular Descriptors for Prospective Virtual Compound ScreeningFrancesca Grisoni, Daniel Reker, Petra Schneider, et al.Molecular Informatics|June 22, 2017
Salts Influence Cathechins and Flavonoids Encapsulation in Liposomes: A Molecular Dynamics InvestigationEmiliano Laudadio, Giovanna Mobbili, Cristina Minnelli, et al.Molecular Informatics|June 7, 2017
VSPrep: A General KNIME Workflow for the Preparation of Molecules for Virtual ScreeningJosé-Manuel Gally, Stéphane Bourg, Quoc-Tuan Do, et al.Molecular Informatics|June 20, 2017
Energy-based Neural Networks as a Tool for Harmony-based Virtual ScreeningNelly I Zhokhova, Igor I BaskinMolecular Informatics|April 29, 2017
Studies on the Bioactivities of ACE-inhibitory Peptides with Phenylalanine C-terminus Using 3D-QSAR, Molecular Docking and in vitro EvaluationChunyan Qi, Guimei Lin, Rong Zhang, et al.Molecular Informatics|May 11, 2017
iPhos-PseEvo: Identifying Human Phosphorylated Proteins by Incorporating Evolutionary Information into General PseAAC via Grey System TheoryWang-Ren Qiu, Bi-Qian Sun, Xuan Xiao, et al.Pageof 101