Search results

Publication date Communities Collections Article title Author(s) Journal/Conference
6 Jul 2026 Others Experimental Drug Development Centre ScrambleBench: a workflow for comparative assessment of structure-based de novo generative models (Pending publish) Veincent Yap, Pan Xu, Frankie S. Mak, Klement Foo, CongBao Kang, Padmanabhan Anbazhagan, Weijun Xu Journal of Cheminformatics
26 Mar 2026 Others Experimental Drug Development Centre In Silico‐Enabled Discovery and Development of Potent and Selective CDK11 Inhibitors (Pending publish) Frankie S. Mak, Fui Mee Ng, Padmanabhan Anbazhagan, Vikas Madan, Qian Wen Tan, Yiyang See, Diane Lim, Frances Karla Kusuma, Hannah Toh, Juliana Mohammad, Haiyan Yang, Sandra Sim, Li Hong Tan, Eileen Tay, Ronald Toh Kuan Hai, Perlyn Zekui Kwek, Mei Yee Wong, Deepika Raman, Qi An Ang, Vithya Manoharan, Susmitha Vuddagiri, Monique Danielle Dawson, Alison Tan, Joma Kanikadu Joy, Bong Hwa Gan, Choon Bing Low, Haoying Xu, Siew Pheng Lim, Hannes Hentze, Joseph Cherian, Chong Teik Tan, Jackie Ang, Kantharaj Ethirajulu, Klement Foo, Inderjeet Singh, Weijun Xu ChemMedChem
12 Feb 2026 Others Experimental Drug Development Centre Macrocycles: On the Rise for Bridging Small Molecules and Biologics (Pending publish) Klement Foo, Kantharaj Ethirajulu, Weijun Xu Journal of Medicinal Chemistry
15 May 2025 Others Experimental Drug Development Centre Towards global reaction feasibility and robustness prediction with high throughput data and bayesian deep learning Haowen Zhong, Yilan Liu, Haibin Sun, Yuru Liu, Rentao Zhang, Baochen Li, Yi Yang, Yuqing Huang, Fei Yang, Frankie S. Mak, Klement Foo, Sen Lin, Tianshu Yu, Peng Wang, Xiaoxue Wang Nature Communications
12 May 2025 Others Experimental Drug Development Centre An Evolving Landscape of Small Molecules Targeting SARS-CoV-2: What Are We Awaiting Beyond 3CLpro Inhibitors? (Pending publish) CongBao Kang, Klement Foo, Kantharaj Ethirajulu, Weijun Xu Journal of Medicinal Chemistry
25 Apr 2025 Others Experimental Drug Development Centre Structure-based discovery of novel non-covalent small molecule inhibitors of USP30 Padmanabhan Anbazhagan, Jothi Anantharajan, Justina Fulwood, Choon Heng Low, Nithya Baburajendran, Klement Foo, Weijun Xu Journal of Computer-Aided Molecular Design
3 Sep 2024 Others Experimental Drug Development Centre Regio-MPNN: predicting regioselectivity for general metal-catalyzed cross-coupling reactions using a chemical knowledge informed message passing neural network Baochen Li, Yuru Liu, Haibin Sun, Rentao Zhang, Yongli Xie, Klement Foo, Frankie S. Mak, Ruimao Zhang, Tianshu Yu, Sen Lin, Peng Wang, Xiaoxue Wang Digital Discovery
23 May 2019 Others Experimental Drug Development Centre Discovery of Irreversible Inhibitors Targeting Histone Methyltrans-ferase, SMYD3 Chuhui Huang, Si Si Liew, Grace R Lin, Anders Poulsen, Melgious J. Y. Ang, Brian C. S. Chia, Sin Yin Chew, Zekui Perlyn Kwek, John L. K. Wee, Esther H. Ong, Priya Retna, Nithya Baburajendran, Rong Li, Weixuan Yu, Xiaoying Koh-Stenta, Anna Ngo, Sravanthy Manesh, Justina Fulwood, Zhiyuan Ke, Hwa Hwa Chung, Sugunavathi Sepramaniam, Xin Hui Chew, Nurul Dinie, Yun Shan Chew, May Ann Lee, Choon Bing Low, Vishal Pendharkar, Vithya Manoharan, Susmitha Vuddagiri, Kanda Sangthongpitag, Joma Joy, Alex Matter, Jeffrey Hill, Thomas Keller, Klement Foo ACS Medicinal Chemistry Letters