News about MolAICal
16-May-2024: Geometric deep learning methods and applications in 3D structure-based drug design. Our paper which is published on Drug Discovery Today introduces the main breakthrough points that include 3D molecular representations, equivariant graph neural networks, generative model methods, etc. Please see: https://doi.org/10.1016/j.drudis.2024.104024. Erratum discussion: download.
15-March-2024: MolAICal is employed to study the pathophysiology of chikungunya virus infection which is published on Cell Host & Microbe (IF: 30.3). Please see: https://doi.org/10.1016/j.chom.2024.02.011.
31-January-2024: A paper uses MolAICal to calculate membrane protein channels to analyze the bacterial adhesion mechanisms that are shown in biological experiments. Please see: https://doi.org/10.1016/j.apmt.2024.102068.
27-April-2023: A paper on Advanced Materials (IF: 32.086) employs MolAICal, in-vivo and in-vitro experiments to study cancer: https://onlinelibrary.wiley.com/doi/abs/10.1002/adma.202211485. In addition, a Youtube video introduces the function of MolAICal: https://www.youtube.com/watch?v=7BbPMqIe3io.
17-May-2022: I am Guest Editor on Special Issue "Methods and Applications of Statistical and Deep Learning in Mathematical Biology". If you are interested in this Special Issue and want to submit your research work, please contact me (molaical@yeah.net). Thanks.
20-October-2021: WIREs Advanced Science News report MolAICal and our AI points for drug discovery: https://www.advancedsciencenews.com/ai-for-drug-discovery-what-can-we-do.
14-October-2021: Our paper has been published on WIREs Computational Molecular Science: https://wires.onlinelibrary.wiley.com/doi/full/10.1002/wcms.1581, "Application advances of deep learning methods for de novo drug design and molecular dynamics simulation". The developed direction of MolAICal will be along with the idea of this paper.
14-June-2021: A webserver based on partial functions of MolAICal is online (see: https://doi.org/10.1016/j.csbj.2021.06.017): "WADDAICA: a webserver for aiding protein drug design by artificial intelligence and classical algorithm".
26-August-2020: MolAICal received "Anti-epidemic Special Award" in Chinese Academy of Sciences (CAS) Pilot Cup Parallel Computing Application Grand Prix. Media coverage:
https://www.chinanews.com/gn/2020/07-10/9234944.shtml
https://www.cas.cn/cm/202008/t20200806_4755339.shtml
https://news.sina.com.cn/o/2020-07-10/doc-iircuyvk3109684.shtml
https://news.sciencenet.cn/htmlnews/2020/7/442666.shtm
https://new.qq.com/rain/a/20200805A0W08K00
https://scitech.people.com.cn/n1/2020/0827/c1007-31838790.html
https://m.gmw.cn/baijia/2021-04/16/34770728.html
etc.
26-June-2020: The manuscript about MolAICal is accepted by Briefings in Bioinformatics.