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

Cellular EMT-status governs contact guidance in an electrospun TACS-mimicking in vitro model

细胞EMT状态调控电纺TACS模拟体外模型中的接触引导

Isert, Lorenz; Passi, Mehak; Freystetter, Benedikt; Grab, Maximilian; Roidl, Andreas; Müller, Christoph; Mehta, Aditi; Sundararaghavan, Harini G; Zahler, Stefan; Merkel, Olivia M

Novel R package to quantify and monetize burden of disease attributable to air pollution and noise

一款用于量化和货币化空气污染和噪声造成的疾病负担的新型 R 软件包

Atz, Kenneth; Cotos, Leandro; Isert, Clemens; Håkansson, Maria; Focht, Dorota; Hilleke, Mattis; Nippa, David F; Iff, Michael; Ledergerber, Jann; Schiebroek, Carl C G; Romeo, Valentina; Hiss, Jan A; Merk, Daniel; Schneider, Petra; Kuhn, Bernd; Grether, Uwe; Schneider, Gisbert; Luan, Ying; Wang, Weiyi; Guan, Yihui; Franzmeier, Nicolai; Xie, Fang; Ewers, Michael; Luyten, A; Breitner, S; Barbosa, A; Kocbach Bølling, A; Lepnurm, M; Pauwels, A; Rueda-López, M J; Castro, A

Prospective de novo drug design with deep interactome learning

利用深度相互作用组学习进行前瞻性从头药物设计

Kenneth Atz, Leandro Cotos, Clemens Isert, Maria Håkansson, Dorota Focht, Mattis Hilleke, David F Nippa, Michael Iff, Jann Ledergerber, Carl C G Schiebroek, Valentina Romeo, Jan A Hiss, Daniel Merk, Petra Schneider, Bernd Kuhn, Uwe Grether, Gisbert Schneider

Exploring protein-ligand binding affinity prediction with electron density-based geometric deep learning

利用基于电子密度的几何深度学习探索蛋白质-配体结合亲和力预测

Isert, Clemens; Atz, Kenneth; Riniker, Sereina; Schneider, Gisbert

Combining de novo molecular design with semiempirical protein-ligand binding free energy calculation

将从头分子设计与半经验蛋白质-配体结合自由能计算相结合

Iff, Michael; Atz, Kenneth; Isert, Clemens; Pachon-Angona, Irene; Cotos, Leandro; Hilleke, Mattis; Hiss, Jan A; Schneider, Gisbert

Identifying opportunities for late-stage C-H alkylation with high-throughput experimentation and in silico reaction screening

利用高通量实验和计算机模拟反应筛选,寻找后期CH烷基化反应的机会。

Nippa, David F; Atz, Kenneth; Müller, Alex T; Wolfard, Jens; Isert, Clemens; Binder, Martin; Scheidegger, Oliver; Konrad, David B; Grether, Uwe; Martin, Rainer E; Schneider, Gisbert

Machine Learning for Fast, Quantum Mechanics-Based Approximation of Drug Lipophilicity

基于量子力学的机器学习方法可快速近似计算药物亲脂性

Isert, Clemens; Kromann, Jimmy C; Stiefl, Nikolaus; Schneider, Gisbert; Lewis, Richard A

Spermine-Based Poly(β-amino ester)s for siRNA Delivery against Mutated KRAS in Lung Cancer

基于精胺的聚(β-氨基酯)用于递送 siRNA 以对抗肺癌中的 KRAS 突变

Yao Jin, Friederike Adams, Lorenz Isert, Domizia Baldassi, Olivia M Merkel

An In Vitro Approach to Model EMT in Breast Cancer

乳腺癌 EMT 模型的体外方法

Lorenz Isert, Aditi Mehta, Gabriele Loiudice, Altea Oliva, Andreas Roidl, Olivia M Merkel

QMugs, quantum mechanical properties of drug-like molecules

QMugs,类药物分子的量子力学性质

Isert, Clemens; Atz, Kenneth; Jiménez-Luna, José; Schneider, Gisbert