Prof. Shuguang Yuan obtained his master degree in biochemistry and structural biology from the Shanghai Institute of Organic Chemistry (SIOC), Chinese Academy of Sciences in 2009. Following that, his doctoral dissertation was funded by the Maria Curia Fellowship. It was conducted in three different institutes in Europe: EPFL(Switzerland), Polish Academy of Science(Poland) and KULeuven University(Belgium). In his research, he investigated the principles of various biological systems including enzymes, kinases, ion channels, transporters and, in particular, G protein-coupled receptors (GPCRs). In June 2013, he was awarded with a PhD title with the honor of distinguished thesis. Following that, he was offered the Marie Curie ETH Postdoc Fellowship. In 2014, Prof. Yuan proposed a theory about the activation mechanism and the continuous water channel of GPCRs (Nature Communications, 2014), which are widely recognized in this area. Prof. Yuan worked at Idorsia (previously known as Actelion) Pharmaceutical Ltd in Basel as a specialist in computer-aided drug design (CADD) for 5 years. In the past few years, he has advanced two of his designed molecules into clinical trials. In 2016, he was invited to join the editorial board of the Journal of Bioinformatics, Computational and Systems Biology. In 2018, he was honored with a title of "affiliate professor" by the University of Warsaw. In 2019, Prof. Yuan was offered a full professor position by the Shenzhen Institute of Advanced Technology, Chinese Academy of Science. He is also the director of the "Research Center for Computer-aided Drug Discovery".
Currently, Dr. Shuguang Yuan is focused on the signalling mechanism and computer aided drug discovery (CADD) of G protein-coupled receptors (GPCRs). GPCRs regulate central human physiological responses to neurotransmitters, hormones, and environmental stimuli, and are among the most important therapeutic targets for many diseases including diabetes, pain, cancer, Alzheimer's disease and so on. About 40% of all marketed medicines are targeting GPCRs. Besides that, he is also interested in investigating enzyme catalytic mechanisms and enzyme engineerings. Furthermore, ligand-gated ion channels, transporters, kinase and disordered proteins are also within his research scopes. Dr. Yuan wishes that his work can benefit the entire human health exensively.
I obtained my Postgraduate Diploma Diploma from Swiss Hotel Management School in Switzerland. Then I worked as an assistant accountant in West Palm Beach, USA for 2 years. After that, I went back to China and worked as the general manager assistant for one year. I enjoy hiking, music, movie and gym.
I obtained my Ph.D degree at KTH Royal Institute of Technology, Sweden. My research interests are focused on the computational studies of biomolecular systems using enhanced sampling methods. I am also interested in developing novel methods for modern drug discovery. I like cooking and traveling in leisure time.
I completed my Ph.D. in Computational Biology and Biophysics at Peking University. During my graduate study, I employed molecular dynamics simulations to investigate the functional dynamics of membrane proteins and developed the coarse-grained force field. My research interests is to study the protein-protein interactions as well as the structures and dynamics of proteins.
I obtained my Ph.D degree in chemical genomics from Peking University in 2019. My research interests are focused on medicinal chemistry and computer-aided drug discovery. I also like art and music in my free time.
I received my Ph.D. degree in Organic Chemistry at Shanghai Advanced Research Institute , Chinese Academy of Sciences. My research interests are mainly focused on the rational design of enzymes and their application in drug discovery and fine chemicals industry. In my leisure time, I like listening to music, reading, fishing and running.
I obtained my Ph.D. degree from the Shanghai JiaoTong University. My research is mainly focused on the crystal structure analysis of enzyme used in synthetic biology. My research interest is to combine structural and computational information for the rational engineering of proteins. I like fitness and running.
I received my PhD in computer-aided drug design from Shanghai Institute of Materia Medica, Chinese Academy of Sciences. Then I worked as a postdoc at Scripps Research Institute in California. I am enthusiastic about data science and drug discovery research. I am also into traveling and reading for leisure.
I am a PhD student at SIAT, majoring in chemical biology. My research interests are network pharmacology, molecular dynamics simulation and drug design. In my spare time, I like doing sports and watching movies.
I am studying for a master's degree in computer science at SIAT. My research interests are the application of artificial intelligence in drug discovery, including machine learning, deep learning and so on. My hobby is playing basketball.
I am studying at SIAT as a postgraduate, majoring in computer technology.I have a strong interest in deep learning and data mining, and I hope to continue my research in the field of computational biology. In my free time, I like assembling toys, computers and home appliances. I like jogging as well.
I am a postgraduate student in CADD center, majoring in chemistry. My research interests are deep learning for drug discovery, such as QSAR and molecular generation. I like watching movies and riding bikes in my spare time.
I come from JiNan University in Guangzhou. I am an exchange student in SIAT. My major is Biology and I am interested in Bioinformatics and Computational Biology. I like running and playing mobile games.
Scientific Work Shuguang Yuan 2 July 2020
Chemokines and their receptors mediate cell migration, which influences multiple fundamental biological processes and disease conditions, such as inflammation and cancer. Our team has successfully illuminated the molecular mechanism of CXCR2 binding to its endogenous ligand IL8 peptide. CXCR2 has been considered to play an essential role in different oncology pathway and our findings provided new insights into cancer drug discovery. This work has been published in Nature recently.read more
Anti-2019-nCoV drug discovery Dr. Shuguang Yuan 26 January 2020
Our team has identified several potential anti-2019-nCoV drug candiates via computational pharmacy. We have computatinally screened 2400+ FDA and othere resource approved drugs as well as 6700+ nature products from Chinese medicines. Finally, several drug molecules were identified. We are actively working on both biochemical experiments as well as clinical studies.read more
Scientific progress Dr. Shuguang Yuan 23 January 2020
Our team has found a completely new binding mode for GPCR drugs recently. In this work, it is the first time that Orthosteric metal ions were identified to coordinate with both drug molecules and GPCRs. Our computational predictions were vailidated by crystal structures, biochemical mutations as well as organic synthesis. This work has been published in ACS Central Science which is entitled "Enhancing the Signaling of GPCRs via Orthosteric Ions".read more
New Year Wishes Dr. Shuguang Yuan 24 December 2019
Joyeux Noel et Bonne Année.
Merry Christmas and Happy New Year.
Fröhliche Weihnachten und ein Glückliches Neues Jahr.read more
collaboration with HuaWei Dr. Shuguang Yuan 13-17 November 2019
Our team presented our recent achievements in the China HighTech Fair 2019. We also established a joined project with HuaWei Cloud Computing which was also demonstrated in this event. Our project, which was entitled "A complete workflow for computational drug discovery", obtained the "Excellent Product" award.
Invited talk Dr. Shuguang Yuan 10-12 November 2019
Prof. Shuguang Yuan was invited to give a talk in recent conference "From free energy pertubation to biomedicine: bridging experiment and computation". The tile of his talk was "From computational molecular basis of GPCR to modern drug discovery".
New member Dr. Shuguang Yuan 10 November 2019
Prof. Horst Vogel joined our team as a full-time "Chief Scientst". Prof. Vogel will focus on membrane protein related biotechnology innovation as well as modern drug discovery.
Scientific work Dr. Shuguang Yuan 15 July 2019
Our work, which is entitled "Advancing Drug Discovery via Artificial Intelligence", has been published in Trends in Pharmacological Sciences. In this work, we depicted how to use AI to advance modern drug discovery during the preclinical stage.