In our laboratory, we analyze big data of medical science, pharmacy and biology and research on technologies of a large-scale simulation with a supercomputer and cloud computing.
We aim at solving the cause of a disease, supporting drug development and application for analysis of microorganisms in the environment.
News
- Two master, three bachelor students joined our lab!
- Investigating the Effects on Amide-to-Ester Substitutions on Membrane Permeability of Cyclic Peptides
- Masatake Sugita got the Oral Presentation Awards in CBI Annual Meeting 2022.
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Illustration of our paper, "Lipid Composition Is Critical for Accurate Membrane Permeability Prediction of Cyclic Peptides by Molecular Dynamics Simulations" has been accepted by Journal of Chemical Information and Modeling as Supplemental Cover! - One master, two bachelor students joined our lab!
- Kazuki Takabatake got the Best Presentation award in ICBBS 2021.
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Illustration of our paper, "Large-scale membrane permeability prediction of cyclic peptides crossing a lipid bilayer based on enhanced sampling molecular dynamics simulations" has been accepted by Journal of Chemical Information and Modeling as Supplemental Cover! - TSUBAME supercomputer predicts cell-membrane permeability of cyclic peptides
- One Specially Appointed Assistant Professor, One Researcher joined our lab!
- One Assistant Professor, Keisuke Yanagisawa joined our lab!
Two researchers joined our lab! - One researcher joined our lab!
- One researcher joined our lab!
- One bachelor student joined our lab!
- Two bachelor students joined our lab!
- One master student joined our lab!
- The Kickoff Symposium - Tokyo Tech and Kawasaki City are combining forces to conduct R&D, construct an infrastructure and implement a business promotion program for the "Program to Industrialize an Innovative Middle Molecule Drug Discovery Flow through Fusion of Computational Drug Design and Chemical Synthesis Technology" will be held at Institute of Industrial Promotion Kawasaki on 22 March, 2018. Link: http://www.midl.titech.ac.jp/symposium2018/
- Tokyo Tech and Kawasaki City are combining forces to conduct R&D, construct an infrastructure and implement a business promotion program for the "Program to Industrialize an Innovative Middle Molecule Drug Discovery Flow through Fusion of Computational Drug Design and Chemical Synthesis Technology". Professor Akiyama and Assistant Professor Ohue are joining the program selected for support by the FY2017 Regional Innovation and Ecosystem Formation Program of the Japanese Ministry of Education, Culture, Sports, Science and Technology (MEXT).
- Shogo D. Suzuki got the student award in 3rd CADD contest (IPAB).
- Marina Yamasawa and Masahito Ohue got the poster prize in IIBMP2016.
- Our joint paper got "Most Original and Most Significant Scientific Findings" from Journal of Pharmaceutical Sciences.
[old news]
External Link
- Tokyo Institute of Technology
- School of Computing
Department of Computer Science
Tokyo Institute of Technology - Middle Molecule IT-based Drug Discovery Laboratory
Tokyo Institute of Technology - Advanced Computational Drug Discovery Unit
Institute of Innovative Research
Tokyo Institute of Technology - Education Academy of Computational Life Sciences
Tokyo Institute of Technology
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