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

FlowMol3: flow matching for 3D de novo small-molecule generation

FlowMol3:用于三维从头小分子生成的流动匹配

Dunn, Ian; Koes, David R

FlowMol3: flow matching for 3D de novo small-molecule generation

FlowMol3:用于三维从头小分子生成的流动匹配

Moumad, Aziz; Bouhaoui, Abderrazzak; Eddahmi, Mohammed; Catto, Marco; Bouissane, Latifa; Dunn, Ian; Koes, David R

A Cationic Amphiphilic Drug (CAD) Defense System in the Nematode Caenorhabditis elegans

线虫秀丽隐杆线虫中的阳离子两亲性药物(CAD)防御系统

Tokmakjian, Levon; Han, Duhyun; Sihuta, Kateryna; Aggarwal, Aanchal; Pirhadi, Somayeh; Wang, Yao; Burns, Andrew R; Cooke, Brittany; Ren, Siyue; Cummins, Carolyn L; Nodwell, Justin; Koes, David R; Roy, Peter J

Sliding Window Interaction Grammar (SWING): a generalized interaction language model for peptide and protein interactions.

滑动窗口交互语法(SWING):一种用于肽和蛋白质相互作用的通用交互语言模型

Siwek Jane C, Omelchenko Alisa A, Chhibbar Prabal, Arshad Sanya, Rosengart AnnaElaine, Nazarali Iliyan, Patel Akash, Nazarali Kiran, Rahimikollu Javad, Tilstra Jeremy S, Shlomchik Mark J, Koes David R, Joglekar Alok V, Das Jishnu

Functional studies on the cytochrome P450 splice variants CYP4F3A and CYP4F3B unveil the basis for their distinct physiological functions

对细胞色素P450剪接变体CYP4F3A和CYP4F3B的功能研究揭示了它们不同生理功能的基础。

Alves Chagas, Brisa Caroline; Brixius, Bjoern; Pirhadi, Somayeh; Mirtchev, Adriana; Ray, Sutapa; Koes, David R; Brixius-Anderko, Simone

Small molecule intervention of actin-binding protein profilin1 reduces tumor angiogenesis in renal cell carcinoma

小分子干预肌动蛋白结合蛋白profilin1可减少肾细胞癌中的肿瘤血管生成

Gau, David; Chawla, Pooja; Xu, Kexin; Welling, Niharika; Antonello, Jacob; Consoli, Caroline; Wei, Monica; Zdancewicz, Sara; DaSilva, Michael; Varghese, Chris; Francoeur, Paul; Shi, Haibin; Chen, Xucai; Paranjape, Anurag; Villanueva, Flordeliza; Smithgall, Thomas E; VanDemark, Andrew; Koes, David R; Huryn, Donna M; Roy, Partha

Sliding Window INteraction Grammar (SWING): a generalized interaction language model for peptide and protein interactions

滑动窗口交互语法(SWING):一种用于肽和蛋白质相互作用的通用交互语言模型

Omelchenko, Alisa A; Siwek, Jane C; Chhibbar, Prabal; Arshad, Sanya; Nazarali, Iliyan; Nazarali, Kiran; Rosengart, AnnaElaine; Rahimikollu, Javad; Tilstra, Jeremy; Shlomchik, Mark J; Koes, David R; Joglekar, Alok V; Das, Jishnu

PharmRL: Pharmacophore elucidation with Deep Geometric Reinforcement Learning

PharmRL:基于深度几何强化学习的药效团解析

Aggarwal, Rishal; Koes, David R

Systematic Comparison of Experimental Crystallographic Geometries and Gas-Phase Computed Conformers for Torsion Preferences

系统比较实验晶体学几何结构和气相计算构象异构体对扭转偏好的影响

Folmsbee, Dakota L; Koes, David R; Hutchison, Geoffrey R

Expanding Training Data for Structure-Based Receptor-Ligand Binding Affinity Regression through Imputation of Missing Labels

通过缺失标签插补扩展基于结构的受体-配体结合亲和力回归的训练数据

Francoeur, Paul G; Koes, David R