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 主著論文が1報公開されました。
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
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ページ、口頭発表）
2021/07 共著論文が1報公開されました。
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年 1月-6月
2021/06 主著論文が1報公開されました。
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
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.
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.
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.
