XX Shi, JY Li, Q Chen, XL Zhu, GF Hao… - Journal of Chemical …, 2020 - ACS Publications
… Fragment-based drug design (FBDD) is a promising methodology to find quality drug leads. It is … provides the basis for the fragment-based design of novel strobilurin fungicide leads. …
MJ Zeller, O Favorov, K Li… - Proceedings of the …, 2022 - National Acad Sciences
… Here, we devise a technology that leverages fragment-based screening and SHAPE-MaP RNA structure probing to discover small-molecule fragments that bind an RNA structure of …
KH Lin, C Corminboeuf - Physical Chemistry Chemical Physics, 2020 - pubs.rsc.org
… We present a fragment-based decomposition analysis tool (FB-REDA) for the reorganisation energy (λ). This tool delivers insights on how to rationally design low-λ organic …
C Davoine, A Traina, J Evrard, S Lanners… - European Journal of …, 2023 - Elsevier
… In this work, we used fragment-based drug discovery approach to improve our coumarin series. First, we screened about 200 fragments for the S1 pocket. The S1 pocket of trypsin-like …
… Herein, we report the successful application of a fragment-based approach toward the discovery of selective Class I PRMT inhibitors. Structure-based ligand optimization was performed …
… substrate scope of our study precludes conclusions on the general application of fragment-based phasing to MicroED data, our results demonstrate that fragment-based phasing is …
J Liu, J Zhou, F He, L Gao, Y Wen, L Gao… - European Journal of …, 2020 - Elsevier
… Fragment-based drug design has become an important and … Fragment screening is very important for fragment-based drug … Another challenge of fragment-based drug design was that …
We tackle the image reassembly problem with wide space between the fragments, in such a way that the patterns and colors continuity is mostly unusable. The spacing emulates the …