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Biochimica Et Biophysica Acta. Proteins and Proteomics|May 31, 2026
A bond-aware graph neural network integrated with docking, pharmacophore modeling and molecular dynamics for JAK2 inhibitors affinity predictionShaghayegh K Nezhad, Mahia V Solout, Sogol Meknatkhah, et al.
Journal of Chemical Information and Modeling|June 11, 2016
Using Wavelet Analysis To Assist in Identification of Significant Events in Molecular Dynamics SimulationsZahra Heidari, Daniel R Roe, Rodrigo Galindo-Murillo, et al.
Bioinformatics (Oxford, England)|July 19, 2023
DeepTraSynergy: drug combinations using multimodal deep learning with transformersFatemeh Rafiei, Hojjat Zeraati, Karim Abbasi, et al.
Journal of Biomolecular Structure & Dynamics|August 26, 2025
Insights into cannabinoid-HSA interactions: spectroscopic analysis and molecular docking for binding site characterizationSogol Meknatkhah, Mohammad Reza Ashrafi-Kooshk, Hossein Lanjanian, et al.
Chemosphere|July 9, 2022
Spiroindeno-pyridineindoles (SIPIs) as new visible colorimetric pH indicatorsGhodsi Mohammadi Ziarani, Maedeh Bagheri, Shahriar Bahar, et al.
Bioinformatics (Oxford, England)|May 29, 2020
DeepCDA: deep cross-domain compound-protein affinity prediction through LSTM and convolutional neural networksKarim Abbasi, Parvin Razzaghi, Antti Poso, et al.
Journal of Chromatography. A|February 9, 2017
Chemometric analysis of comprehensive two dimensional gas chromatography-mass spectrometry metabolomics dataYahya Izadmanesh, Elba Garreta-Lara, Jahan B Ghasemi, et al.
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