Session Details

[2MS-05]【J】Identification of target sites in disease-relevant proteins through super-resolution molecular dynamics simulations

Thu. Nov 28, 2024 3:10 PM - 4:30 PM JST
Thu. Nov 28, 2024 6:10 AM - 7:30 AM UTC
Room 5(Fukuoka International Congress Center, 4F 409+410)
Organizer: Ryohei Katayama (Japanese Foundation for Cancer Research), Mitsugu Araki (Kyoto University)
Co-hosted by: Grant-in-Aid for Challenging Research (Pioneering), Searching druggable target sites by developing refined molecular dynamic simulations
In this symposium, we would like to present efforts to understand and predict the structure and affinity of disease-associated proteins and/or ligands through structure analysis and computational simulation. In order to understand the biological processes and develop novel therapeutic strategies, we have studied and developed high-resolution structure analysis and molecular dynamic protein structure simulation of disease-associated proteins. In this session, each speaker will present their latest efforts to visualize and deeply understand how disease-associated proteins and the drugs interact with each other using cryo-EM analysis and/or supercomputer-based ultra-high precision molecular dynamic simulations.

Introduction

[2MS-05-01]Dynamic Structure of the DOCK5/ELMO1 Guanine Nucleotide Exchange Factor Complex Revealed by Cryo-EM

○Mutsuko Niino1 (1. RIKEN BDR)
Comment()

[2MS-05-02]Constructing a Multilayer Disease Database for Exploring Disease Mechanisms and Therapeutic Targets

○Mayumi Kamada1 (1. Kitasato University)
Comment()

[2MS-05-03]Pan-cancer analysis of novel genetic mechanisms of carcinogenesis

○Keisuke Kataoka1,2 (1. Div. Hematol., Dept. Med., Keio Univ. Sch. Med., 2. Div. Molecul. Oncol., Natl. Cancer Ctr. Res. Inst.)
Comment()

[2MS-05-04]Understanding the mechanisms of resistance to molecular-targeted drugs in lung cancer using patient derived samples and molecular-dynamic simulation

○Ryohei Katayama1,2 (1. Japanese Foundation for Cancer Research, 2. The University of Tokyo)
Comment()