Forging physics-based and deep-learning approaches for computational drug discovery

Forging physics-based and deep-learning approaches for computational drug discovery

Forging physics-based and deep-learning approaches for computational drug discovery

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Prof. Jung-Hsin Lin

1Biomedical Translation Research Center (BioTReC), 2Research Center for Applied Science (RCAS), and 3Institute of Biomedical Sciences (IBMS), Academia Sinica, Taipei, Taiwan, 4School of Pharmacy, College of Medicine, National Taiwan University, Taipei, Taiwan, 5College of Engineering Sciences, Chang Gung University, Chungli, Taiwan

Biography

Dr. Jung-Hsin Lin received his Ph.D. training at Institute für Festkörperfoschung, Forschungszentrum Jülich, Germany, under the supervision of Dr. Artur Baumgaertner, and he then worked as Bioinformatics Specialist at Howard Hughes Medical Institute, at University of California, San Diego, under the supervision of Prof. J. Andrew McCammon. He returned to Taiwan and started his independent career in 2003 as Assistant Professor at School of Pharmacy, College of Medicine, National Taiwan University. In 2004 he joined Institute of Biomedical Sciences, Academia Sinica as a Jointly-Appointed Research Fellow. In 2006 he was recruited to Research Center for Applied Sciences, Academia Sinica. He was the Chief Executive Officer of the Thematic Center for Biomedical Applications of Research Center for Applied Sciences (RCAS) between 2015 and 2020, and the Deputy Director of RCAS between 2019 and 2020. He is currently the Deputy Director of BioTReC, and also the Chief Executive Officer of the Thematic Center for Intelligence Medicine. He is the inventor of 16 patents for the new drugs discovered from his collaborative teams. Two series of drug candidates on neurodegenerative diseases and cancer treatment were exclusively licensed to the companies in Taiwan in 2015 and 2016, respectively. He has recently also set up a laboratory for protein expression and purification, and has already carried out some cryo-EM experiments for determining membrane protein structures and NMR experience for structure determination and dynamics characterization. 

Abstract

In this seminar I will highlight some major research topics of my lab on the developments and applications of computational methodologies for design and discovery of new drugs, and for unravelling the molecular mechanisms of biological systems based on fundamental physical chemical principles, which are facilitated by biophysical experiments, as well as molecular modelling and simulations. I will also describe an integrated virtual screening scheme established in our lab, which combines rapid docking and deep-learning-based scoring approaches, molecular dynamics simulations and adaptive umbrella sampling methods, enabling the screening of very large libraries of chemical compounds in a very efficient manner while preserving high accuracy.

Informations complémentaires

Auteur - Jung-Hsin Lin

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Date et heure

18 octobre 2022 @ 02:30 PM
 

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