3D‐e‐Chem: Structural Cheminformatics Workflows for Computer‐Aided Drug Discovery

por Kooistra, Albert J., Vass, Márton, McGuire, Ross, Leurs, Rob, de Esch, Iwan J. P., Vriend, Gert, Verhoeven, Stefan, de Graaf, Chris
Publicado 2018

Discovery of Novel Allosteric Modulators Targeting an Extra-Helical Binding Site of GLP-1R Using Structure- and Ligand-Based Virtual Screening

por Zhou, Qingtong, Guo, Wanjing, Dai, Antao, Cai, Xiaoqing, Vass, Márton, de Graaf, Chris, Shui, Wenqing, Zhao, Suwen, Yang, Dehua, Wang, Ming-Wei
Publicado 2021

3D-e-Chem-VM: Structural Cheminformatics Research Infrastructure in a Freely Available Virtual Machine

por McGuire, Ross, Verhoeven, Stefan, Vass, Márton, Vriend, Gerrit, de Esch, Iwan J. P., Lusher, Scott J., Leurs, Rob, Ridder, Lars, Kooistra, Albert J., Ritschel, Tina, de Graaf, Chris
Publicado 2017