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

Rapid traversal of vast chemical space using machine learning-guided docking screens.

利用机器学习引导的对接筛选快速遍历广阔的化学空间

Luttens Andreas, Cabeza de Vaca Israel, Sparring Leonard, Brea José, Martínez Antón Leandro, Kahlous Nour Aldin, Radchenko Dmytro S, Moroz Yurii S, Loza María Isabel, Norinder Ulf, Carlsson Jens

Virtual fragment screening for DNA repair inhibitors in vast chemical space.

在广阔的化学空间中对DNA修复抑制剂进行虚拟片段筛选

Luttens Andreas, Vo Duc Duy, Scaletti Emma R, Wiita Elisée, Almlöf Ingrid, Wallner Olov, Davies Jonathan, Košenina Sara, Meng Liuzhen, Long Maeve, Mortusewicz Oliver, Masuyer Geoffrey, Ballante Flavio, Michel Maurice, Homan Evert, Scobie Martin, Kalderén Christina, Warpman Berglund Ulrika, Tarnovskiy Andrii V, Radchenko Dmytro S, Moroz Yurii S, Kihlberg Jan, Stenmark Pål, Helleday Thomas, Carlsson Jens

A generative deep learning approach to de novo antibiotic design

一种基于生成式深度学习的全新抗生素设计方法

Krishnan, Aarti; Anahtar, Melis N; Valeri, Jacqueline A; Jin, Wengong; Donghia, Nina M; Sieben, Leif; Luttens, Andreas; Zhang, Yu; Modaresi, Seyed Majed; Hennes, Andrew; Fromer, Jenna; Bandyopadhyay, Parijat; Chen, Jonathan C; Rehman, Danyal; Desai, Ronak; Edwards, Paige; Lach, Ryan S; Aschtgen, Marie-Stéphanie; Gaborieau, Margaux; Gaetani, Massimiliano; Palace, Samantha G; Omori, Satotaka; Khonde, Lutete; Moroz, Yurii S; Blough, Bruce; Jin, Chunyang; Loh, Edmund; Grad, Yonatan H; Saei, Amir Ata; Coley, Connor W; Wong, Felix; Collins, James J

A practical guide to large-scale docking

大规模对接实用指南

Bender, Brian J; Gahbauer, Stefan; Luttens, Andreas; Lyu, Jiankun; Webb, Chase M; Stein, Reed M; Fink, Elissa A; Balius, Trent E; Carlsson, Jens; Irwin, John J; Shoichet, Brian K