Jianan Li, Keisuke Yanagisawa, Yasushi Yoshikawa, Masahito Ohue, Yutaka Akiyama. “Plasma protein binding prediction focusing on residue-level features and circularity of cyclic peptides by deep learning”, Bioinformatics, 38: 1110-1117, 2022/02. DOI: 10.1093/bioinformatics/btab726
2021/10 A paper has been published.
Keisuke Yanagisawa. “Virtual Screening Methods with a Protein Tertiary Structure for Drug Discovery”, JSBi Bioinformatics Review, 2: 76-86, 2021/10. DOI: 10.11234/jsbibr.2021.9 (in Japanese)
2021/09 An oral presentation has been accepted in an international conference ICBBS2021.
Kazuki Takabatake, Kazuki Izawa, Motohiro Akikawa, Keisuke Yanagisawa, Masahito Ohue, Yutaka Akiyama. “Improved Homology Search for Metagenomic Analysis by Two-Step Seed Search with Reduced Amino Acid Alphabets”, The 10th International Conference on Bioinformatics and Biomedical Science (ICBBS2021), 2021/10/29-31. (Oral Presentation)
2021/07 An oral presentation has been accepted in an international conference PDPTA’21.
Kazuya Isawa, Keisuke Yanagisawa, Masahito Ohue, Yutaka Akiyama. “Antisense oligonucleotide activity analysis based on opening and binding energies to targets”, In Proceedings of the 27th International Conference on Parallel and Distributed Processing Techniques and Applications (PDPTA’21), 2021/07/27. (14 pages, Oral Presentation)
2021/07 A paper has been published.
Masatake Sugita, Satoshi Sugiyama, Takuya Fujie, Yasushi Yoshikawa, Keisuke Yanagisawa, Masahito Ohue, Yutaka Akiyama. “Large-scale membrane permeability prediction of cyclic peptides crossing a lipid bilayer based on enhanced sampling molecular dynamics simulations”, Journal of Chemical Information and Modeling, 61: 3681-3695, 2021/7. DOI: 10.1021/acs.jcim.1c00380
2021 January-June
2021/06 A paper has been published.
Keisuke Yanagisawa, Yoshitaka Moriwaki, Tohru Terada, Kentaro Shimizu. “EXPRORER: Rational Cosolvent Set Construction Method for Cosolvent Molecular Dynamics Using Large-Scale Computation”, Journal of Chemical Information and Modeling, 61: 2744-2753, 2021/06. DOI: 10.1021/acs.jcim.1c00134
2021/03 We won the 2019 Education Award of Excellence from Tokyo Institute of Technology.
Keisuke Yanagisawa. “Rational probe set construction for mixed-solvent molecular dynamics”, The 43rd Annual Meeting of the Molecular Biology Socienty of Japan (MBSJ2020): [2F-11] forum “State-of-the-art researches of in silico drug discovery”, online, 2020/12/03.
2020/10 I got a grant for young researcher.
Keisuke Yanagisawa, “Computer-aided lead optimization with cosolvent molecular dynamics (CMD)”, Grant for young researcher, School of Computing, Tokyo Institute of Technology, $4 700, 2020/10-2021/03.
2020/07 Our proposal has been accepted the ABCI Grand Challenge Program.
Yutaka Akiyama, Keisuke Yanagisawa, Ohue Masahito, Yasushi Yoshikawa, Masatake Sugita, Takuya Fujie, Kento Aoyama, Satoshi Sugiyama, “Membrane permeability prediction of more than 100 cyclic peptides by REUS simulations and machine learning”, “ABCI Grand Challenge” Program, National Institute of Advanced Industrial Science and Technology (AIST), 2020/08/26-2020/08/27.
2020 January-June
2020/04 I got a JSPS KAKENHI (grant-in-aid for young researchers).
Keisuke Yanagisawa, “Comprehensive prediction of cryptic binding sites by multi-task deep learning”, JSPS KAKENHI (grant-in-aid for young reseachers), 20K19917, $40 000, 2020/04-2022/03.
2020/04 I joined the School of Computing, Tokyo Institute of Technology as an assistant professor.
2020/02 I won the Seiichi Tejima Doctoral Dissertation Award from Tokyo Institute of Technology.
Keisuke Yanagisawa, Yoshitaka Moriwaki, Tohru Terada, Kentaro Shimizu. “Systematic construction of the cosolvents sets for cosolvent MD (CMD) with the large-scale simulation”, AHeDD2019/IPAB2019 Joint Symposium, 2019/11.
Keisuke Yanagisawa, Yoshitaka Moriwaki, Tohru Terada, Kentaro Shimizu. “Systematic construction of the cosolvents sets for cosolvent MD (CMD) with the large-scale computation”, Chem-Bio Informatics Society(CBI) Annual Meeting 2019, P1-24, 2019/10.
2019/10 Our proposal has been accepted the Initiative on Promotion of Supercomputing for young or Women Researchers.
Keisuke Yanagisawa, “Construction of the optimal cosolvents sets for cosolvent MD (CMD) with the large-scale computation”, Initiative on Promotion of Supercomputing for Young or Women Researchers, Information Technology Center, The University of Tokyo, $950, 2019/10-2020/03.
Keisuke Yanagisawa, Yoshitaka Moriwaki, Tohru Terada, Kentaro Shimizu. “Estimation of the probability map (Pmap) similarity of cosolvent MD (CMD) from structural similarities of cosolvents”, The 57th Annual Meeting of The Biophysical Society of Japan, 2019/09.
2019 April-June
2019/04 I joined Bioengineering Information Laboratory, Dept. Biotech., The University of Tokyo as a doctoral fellow (PD).
FY2018
2019/03 I got a Ph.D degree in Tokyo Institute of Technology.
2019/02 A paper was accepted and was published to Molecular Diversity.
Takashi Tajimi, Naoki Wakui, Keisuke Yanagisawa, Yasushi Yoshikawa, Masahito Ohue, Yutaka Akiyama: “Computational prediction of plasma protein binding of cyclic peptides from small molecule experimental data using sparse modeling techniques”, The 29th International Conference on Genome Informatics (GIW 2018), 2018/12.
2018/06 Computational Biology and Chemistry誌に論文が採録され、公開されました。
Keisuke Yanagisawa, Shunta Komine, Rikuto Kubota, Masahito Ohue, Yutaka Akiyama: “Optimization of memory use of fragment extension-based protein-ligand docking with an original fast minimum cost flow algorithm”, Computational Biology and Chemistry, 74: 399-406, 2018/06.
[open access]
Keisuke Yanagisawa, Shunta Komine, Rikuto Kubota, Masahito Ohue, Yutaka Akiyama: “Optimization of memory use of fragment extension-based protein-ligand docking with an original fast minimum cost flow algorithm”, The 16th Asia Pacific Bioinformatics Conference (APBC2018), 2018/01.
Takanori Hayashi, Yuri Matsuzaki, Keisuke Yanagisawa, Masahito Ohue, Yutaka Akiyama: “MEGADOCK-Web: an integrated database of high-throughput structure-based protein-protein interaction predictions”, The 16th Asia Pacific Bioinformatics Conference (APBC2018), 2018/01.
Keisuke Yanagisawa, Shunta Komine, Shogo D. Suzuki, Masahito Ohue, Takashi Ishida, Yutaka Akiyama: “ESPRESSO: An ultrafast compound pre-screening method based on compound decomposition”, The 27th International Conference on Genome Informatics (GIW 2016), 2016/10.
Keisuke Yanagisawa, Shunta Komine, Shogo D. Suzuki, Masahito Ohue, Takashi Ishida, Yutaka Akiyama: “ESPRESSO: An ultrafast compound pre-screening method based on compound segmentation”, Informatics in Biology, Medicine and Pharmacology 2016, P65, 2016/09.
Keisuke Yanagisawa, Shunta Komine, Masahito Ohue, Takashi Ishida, Yutaka Akiyama: “Fast pre-filtering for virtual screening based on compound decomposition”, Informatics in Biology, Medicine and Pharmacology 2015, 2015/10.
