"大上雅史","タンパク質間相互作用を狙う創薬インフォマティクス","筑波大学計算科学研究センター 計算メディカルサイエンスワークショップ2022",,,,,,2022,Oct.
"Keisuke Uchikawa,Kairi Furui,Masahito Ohue","Investigation of AlphaFold2 predictive structure generation method suitable for structure-based virtual screening","第6回Tokyo Bioinformatics Meeting",,,,,,2022,Oct.
"杉田駿也,大上雅史","予測モデルの性質を考慮した適用領域による薬剤標的親和性予測","第6回Tokyo Bioinformatics Meeting",,,,,,2022,Oct.
"石沢涼太,大上雅史","フラグメントリンキング法に基づくPROTAC分子リンカー設計","第6回Tokyo Bioinformatics Meeting",,,,,,2022,Oct.
"Kairi Furui,Masahito Ohue","Compound virtual screening by learning-to-rank with gradient boosting decision tree and enrichment-based cumulative gain","第6回Tokyo Bioinformatics Meeting",,,,,,2022,Oct.
"大上雅史","AI創薬・生命科学関連技術の進展とそれを支えるGPUソリューション","CBI学会2022年大会",,,,,,2022,Oct.
"Yuki Kojima,Takatsugu Kosugi,Masahito Ohue","Molecular Generation for Protein-Protein Interaction Inhibitor Design focusing on Physicochemical Properties","CBI学会2022年大会",,,,,,2022,Oct.
"大上雅史","創薬研究におけるAI技術",,,,,,,2022,Oct.
"Kairi Furui,Masahito Ohue","Lead optimization through active learning using free energy perturbation","CBI学会2022年大会",,,,,,2022,Oct.
"Apakorn Kengkanna,大上雅史","Multiple Molecular Graph Representation Learning and Interpretation for Molecular Property/Activity Prediction in Drug Discovery","第6回Tokyo Bioinformatics Meeting",,,,,,2022,Oct.
"兒嶋佑季,小杉孝嗣,大上雅史","タンパク質間相互作用阻害化合物ライブラリ構築のための分子生成手法の開発","第6回Tokyo Bioinformatics Meeting",,,,,,2022,Oct.
"Takafumi Ueki,Masahito Ohue","Improvement of physical properties by redesigning antibody sequences using AfDesign","第6回Tokyo Bioinformatics Meeting",,,,,,2022,Oct.
"冨樫慧乃辰,大上雅史","環状ペプチド複合体の構造データベース構築と相互作用解析","第6回Tokyo Bioinformatics Meeting",,,,,,2022,Oct.
"Masatake Sugita,Takuya Fujie,Keisuke Yanagisawa,Masahito Ohue,Yutaka Akiyama","Lipid Composition Is Critical for Accurate Membrane Permeability Prediction of Cyclic Peptides by Molecular Dynamics Simulations",,"Journal of Chemical Information and Modeling","American Chemical Society","Volume 62","Issue 18","pp. 4549-4560",2022,Sept.
"大上 雅史","博士人材の多様なキャリアパス","第11回生命医薬情報学連合大会",,,,,,2022,Sept.
"Yuki Kojima,Takatsugu Kosugi,Masahito Ohue","Molecular Generation for Protein-Protein Interaction Inhibitor Design focusing on Physicochemical Properties","IIBMP2022",,,,,,2022,Sept.
"Kairi Furui,Masahito Ohue","Evaluation of Compound Virtual Screening Performance Using Learning-to-Rank in Diverse Experimental Scenarios","IIBMP2022",,,,,,2022,Sept.
"Wenxing Hu,Masahito Ohue","Protein-Protein Interaction Prediction Based On Atomic Volume Distributions With AlphaFold Multimer","IIBMP2022",,,,,,2022,Sept.
"Shunya Sugita,Masahito Ohue","Drug-target affinity prediction using applicability domain considering the characteristics of the prediction model","IIBMP2022",,,,,,2022,Sept.
"Takatsugu Kosugi,Masahito Ohue","Solubility-Aware Protein Binding Peptide Design Using AlphaFold","IIBMP2022",,,,,,2022,Sept.
"大上雅史","情報学で挑むバイオ・創薬イノベーション","生物物理夏の学校2022",,,,,,2022,Sept.
"大上雅史","AIが加速する創薬・生命科学","NVIDIA/湘南アイパーク共催 メンバーシップ入会記念オンラインセミナー 「NVIDIA AI Colloquim」",,,,,,2022,Aug.
"Keisuke Yanagisawa,Rikuto Kubota,Yasushi Yoshikawa,Masahito Ohue,Yutaka Akiyama","Effective Protein-Ligand Docking Strategy via Fragment Reuse and a Proof-of-Concept Implementation",,"ACS Omega","American Chemical Society","Volume 7","Issue 34","pp. 30265-30274",2022,Aug.
"Kairi Furui,Masahito Ohue","Compound virtual screening by learning-to-rank with gradient boosting decision tree and enrichment-based cumulative gain","19th IEEE Conference on Computational Intelligence in Bioinformatics and Computational Biology(IEEE CIBCB2022)","In Proceedings of The 19th IEEE International Conference on Computational Intelligence in Bioinformatics and Computational Biology (CIBCB 2022)","IEEE",,,,2022,Aug.
"Takatsugu Kosugi,Masahito Ohue","Solubility-aware protein binding peptide design using AlphaFold",,"Biomedicines","MDPI","Volume 10","Issue 7",,2022,July
"大上雅史","AlphaFold2の登場と創薬への影響",,"革新的AI創薬?医療ビッグデータ、人工知能がもたらす創薬研究の未来像?","株式会社エヌ・ティー・エス",,,,2022,July
"大上雅史","タンパク質の理解と制御のための構造インフォマティクス","第65回日本腎臓学会学術総会",,,,,,2022,June
"兒嶋佑季,小杉孝嗣,大上雅史","物理化学的特性に着目したタンパク質間相互作用阻害候補化合物の生成",,"研究報告バイオ情報学（BIO）","情報処理学会","  2022-BIO-70","  48","  1-6",2022,June
"能祖雄大,杉田昌岳,藤江拓哉,柳澤渓甫,大上雅史,秋山泰","分子動力学シミュレーション軌跡データからの環状ペプチドの膜透過性と相関が高い特徴量の抽出",,"研究報告バイオ情報学（BIO）","情報処理学会","  2022-BIO-70","  50","  1-8",2022,June
"古井海里,大上雅史","多様な実験設定におけるランク学習を用いた化合物スクリーニングの性能評価",,"研究報告バイオ情報学（BIO）","情報処理学会","  2022-BIO-70","  49","  1-6",2022,June
"大上雅史","AlphaFoldの計算創薬への応用と今後","第434回CBI学会講演会 「タンパク質立体構造予測の最前線?AlphaFold2は創薬に真のブレークスルーをもたらすのか?」",,,,,,2022,May
"大上雅史","タンパク質間相互作用の理解と制御のための構造インフォマティクス","第32回バイオメディカル研究会「最先端構造解析の現状と課題」",,,,,,2022,May
"山崎眞拓,伊澤和輝,平田稜,柳澤渓甫,大上雅史,秋山泰","結合エネルギーを考慮したゲノムワイドな高速短鎖核酸配列検索手法の開発",,"研究報告バイオ情報学（BIO）","情報処理学会","  2022-BIO-69","  8","  1-8",2022,Mar.
"稲垣雅也,柳澤渓甫,大上雅史,秋山泰","フラグメント化された化合物立体構造データベースの構築",,"研究報告バイオ情報学（BIO）","情報処理学会","  2022-BIO-69","  15","  1-8",2022,Mar.
"杉田駿也,大上雅史","適用領域を考慮した薬剤標的親和性予測",,"研究報告バイオ情報学（BIO）","情報処理学会","  2022-BIO-69","  4","  1-6",2022,Mar.
"兒嶋佑季,小杉孝嗣,大上雅史","タンパク質間相互作用阻害剤設計のための分子生成手法の開発","情報処理学会第84回全国大会",,,,,,2022,Mar.
"兒嶋佑季,小杉孝嗣,大上雅史","タンパク質間相互作用阻害剤設計のための分子生成手法の開発","第26回オープンバイオ研究会",,,,,,2022,Mar.
"古井海里,大上雅史","ランク学習を用いた化合物スクリーニングにおける多様なアッセイデータの統合戦略","第26回オープンバイオ研究会",,,,,,2022,Mar.
"大上雅史","AI・計算科学が加速する生命科学","「機能タンパク質の構造と機能のダイナミクスと、それに基づく細胞・生体システム作動機構の研究拠点の形成」最終成果報告会",,,,,,2022,Mar.
"津嶋佑旗,柳澤渓甫,大上雅史,秋山泰","新たなデータセットによる長距離フラグメントリンキング手法の再評価",,"研究報告バイオ情報学（BIO）","情報処理学会","  2022-BIO-69","  16","  1-8",2022,Mar.
"玉野史結,伊澤和輝,柳澤渓甫,大上雅史,秋山泰","Gapmer型ASOにおけるオフターゲット効果のリスク評価手法の提案",,"研究報告バイオ情報学（BIO）","情報処理学会","  2022-BIO-69","  7","  1-7",2022,Mar.
"古井海里,大上雅史","ランク学習を用いた化合物スクリーニングにおける多様なアッセイデータの統合戦略","情報処理学会第84回全国大会",,,,,,2022,Mar.
"Yoshio Ri,Yanagisawa K,Yoshikawa Y,Ohue M,Akiyama Y.","Plasma protein binding prediction focusing on residue-level features and circularity of cyclic peptides by deep learning",,"Bioinformatics",,"Volume 38","Issue 4","  1110-1117",2022,Feb.
"杉田駿也,大上雅史","自由エネルギー摂動法計算における化合物ネットワーク構造の効率化",,"研究報告数理モデル化と問題解決（MPS）","情報処理学会","  2022-MPS-137","  12","  1-6",2022,Feb.
"大上雅史","AlphaFold利用のすすめ",,"実験医学2022年2月号","羊土社","Vol. 40","No. 2","pp. 433-438",2022,Jan.
"大上雅史","AlphaFoldのタンパク質立体構造予測の性能",,"実験医学2022年2月号","羊土社","Vol. 40","No. 2","pp. 427-430",2022,Jan.
"大上雅史","AI・計算科学が加速する生命科学","日本農芸化学会 産学官若手交流会 第37回さんわかセミナー「生命科学のDX：農化系ラボのデジタル展開を探る」",,,,,,2022,Jan.