日期:
2020 年 — 2026 年
2020
2021
2022
2023
2024
2025
2026
影响因子:

Medicines, Diseases, Indications, and Contraindications (MeDIC): a foundational resource to support drug repurposing

药物、疾病、适应症和禁忌症(MeDIC):支持药物再利用的基础资源

DeLuca, Marcello; Matentzoglu, Nico; Sharp, Elliott; Li, Jane; Hempstead, Charlie; Lim, May; Kaniewski, Piotr; Carter, E Kathleen; Koirala, Kushal; Ding, Elvin; Vijnck, Laurens; Brokmeier, Pascal; Toro, Sabrina; Schaper, Kevin; Vergine, Jacques; Li, Olivia; Oprea, Tudor I; Fajgenbaum, David C; Bizon, Christopher; Haendel, Melissa; Tropsha, Alexander

In silico Drug Discovery: Bridging the Gaps in Preclinical Translation

计算机辅助药物发现:弥合临床前转化中的差距

Markossian, Sarine; Baskir, Hannah M; Grossman, Abigail C; Chandran, Suchismita; Rele, Shyam; Hall, Matthew D; Amaro, Rommie E; Tropsha, Alexander; Zakharov, Alexey V

CACHE Challenge #3: Targeting the Nsp3 Macrodomain of SARS-CoV-2

CACHE挑战赛#3:靶向SARS-CoV-2的Nsp3宏结构域

Herasymenko, Oleksandra; Silva, Madhushika; Correy, Galen J; Abu-Saleh, Abd Al-Aziz A; Ackloo, Suzanne; Arrowsmith, Cheryl; Ashworth, Alan; Ban, Fuqiang; Beck, Hartmut; Bishop, Kevin P; Bohórquez, Hugo J; Bolotokova, Albina; Breznik, Marko; Chau, Irene; Chen, Yu; Cherkasov, Artem; Dehaen, Wim; Della Corte, Dennis; Denzinger, Katrin; Doering, Niklas P; Edfeldt, Kristina; Edwards, Aled; Fayne, Darren; Gentile, Francesco; Gibson, Elisa; Gokdemir, Ozan; Gunnarsson, Anders; Günther, Judith; Irwin, John J; Jensen, Jan Halborg; Harding, Rachel J; Hillisch, Alexander; Hoffer, Laurent; Hogner, Anders; Hutchinson, Ashley; Kandwal, Shubhangi; Karlova, Andrea; Koirala, Kushal; Kotelnikov, Sergei; Kozakov, Dima; Lee, Juyong; Lee, Soowon; Lessel, Uta; Liu, Sijie; Liu, Xuefeng; Loppnau, Peter; Meiler, Jens; Moretti, Rocco; Moroz, Yurii S; Muvva, Charuvaka; Oprea, Tudor I; Paige, Brooks; Pandit, Amit; Park, Keunwan; Poda, Gennady; Protopopov, Mykola V; Pütter, Vera; Ravichandran, Rahul; Rognan, Didier; Rosta, Edina; Sabnis, Yogesh; Scott, Thomas; Seitova, Almagul; Sharma, Purshotam; Sindt, François; Song, Minghu; Steinmann, Casper; Stevens, Rick; Talagayev, Valerij; Tararina, Valentyna V; Tarkhanova, Olga; Tingey, Damon; Trant, John F; Treleaven, Dakota; Tropsha, Alexander; Walters, Patrick; Wells, Jude; Westermaier, Yvonne; Wolber, Gerhard; Wortmann, Lars; Zheng, Shuangjia; Fraser, James S; Schapira, Matthieu

Modeling Protein-Protein and Protein-Ligand Interactions by the ClusPro Team in CASP16

ClusPro团队在CASP16中对蛋白质-蛋白质和蛋白质-配体相互作用进行了建模

Ashizawa, Ryota; Kotelnikov, Sergei; Khan, Omeir; Li, Stan Xiaogang; Glukhov, Ernest; Cao, Xin; Lazou, Maria; Bekar-Cesaretli, Ayse; Hailegeorgis, Derara; Averkava, Veranika; Zhu, Yimin; Jones, George; Yu, Hao; Kalitin, Dmytro; Stepanenko, Darya; Koirala, Kushal; Patsahan, Taras; Beglov, Dmitri; Lukin, Mark; Joseph-McCarthy, Diane; Simmerling, Carlos; Tropsha, Alexander; Coutsias, Evangelos; Dill, Ken A; Padhorny, Dzmitry; Vajda, Sandor; Kozakov, Dima

Phosphorylation-activated G protein signaling stabilizes TCP14 and JAZ3 to repress JA signaling and enhance plant immunity

磷酸化激活的G蛋白信号通路稳定TCP14和JAZ3,从而抑制JA信号通路并增强植物免疫力。

Jia, Haiyan; Hewitt, Natalie; Jordá, Lucía; Abramyan, Tigran M; Tolliver, Josh; Jones, Janice L; Nomura, Kinya; Yang, Jing; He, Sheng-Yang; Tropsha, Alexander; Molina, Antonio; Dohlman, Henrik G; Jones, Alan M

Pioneering a new field of computational pharmacophenomics to unlock the life-saving potential of existing medicines

开创计算药理表型组学这一新领域,以释放现有药物的救命潜力

Fajgenbaum, David C; Nijim, Sally; Mitchell, Grant; Macak, Matej; Bizon, Chris; Tropsha, Alexander; Koslicki, David

AI-driven discovery of synergistic drug combinations against pancreatic cancer.

利用人工智能发现对抗胰腺癌的协同药物组合

Pourmousa Mohsen, Jain Sankalp, Barnaeva Elena, Jin Wengong, Hochuli Joshua, Itkin Zina, Maxfield Travis, Melo-Filho Cleber, Thieme Andrew, Wilson Kelli, Klumpp-Thomas Carleen, Michael Sam, Southall Noel, Jaakkola Tommi, Muratov Eugene N, Barzilay Regina, Tropsha Alexander, Ferrer Marc, Zakharov Alexey V

Design Principles From Natural Olfaction for Electronic Noses

基于自然嗅觉的电子鼻设计原则

Patel, Haritosh; Garrido Portilla, Vicente; Shneidman, Anna V; Movilli, Jacopo; Alvarenga, Jack; Dupré, Christophe; Aizenberg, Michael; Murthy, Venkatesh N; Tropsha, Alexander; Aizenberg, Joanna

The Six Ds of Exponentials and drug discovery: A path toward reversing Eroom's law

指数增长与药物发现的六个要素:一条逆转埃鲁姆定律的道路

Tropsha, Alexander; Martin, Holli-Joi; Cherkasov, Artem

Enabling Open Machine Learning of Deoxyribonucleic Acid-Encoded Library Selections to Accelerate the Discovery of Small Molecule Protein Binders

利用开放式机器学习对脱氧核糖核酸编码文库进行筛选,加速小分子蛋白质结合剂的发现

Wellnitz, James; Ahmad, Shabbir; Bagale, Nabin; Cheng, Xuemin; Joseph, Jermiah; Zeng, Hong; Bolotokova, Albina; Dong, Aiping; Reza, Shaghayegh; Ghiabi, Pegah; Gibson, Elisa; Tu, Guiping; Li, Xianyang; Liu, Jian; Dou, Dengfeng; Li, Jin; Foley, Timothy L; Harris, Anthony R; Klug-McLeod, Jacquelyn L; Lee, Jisun; Lengyel-Zhand, Zsofia; Montgomery, Justin I; Sakata, Sylvie; Zhang, Jinzhi; Zhu, Hongyao; Owen, Dafydd R; Harding, Rachel J; Edwards, Aled M; Haibe-Kains, Benjamin; Halabelian, Levon; Tropsha, Alexander; Couñago, Rafael M