… Based on existing methods, we propose a model named MolSOL, which uses a fragment-based
attention model framework to study the solubility of drug molecules. Firstly, we …

… Fragment based drug design is an important subfield in drug discovery and the effectiveness
of it relies on having a good fragment database with specific requirements. This can be …

… Diverse computational methods to support fragment-based drug discovery (FBDD) are
available in the literature. Despite their demonstrated efficacy in supporting FBDD campaigns, …

… Fragment-based drug discovery, which has traditionally been used in a target-… fragment-based
ligand discovery, which integrates the benefits of covalent targeting and fragment-based …

… Fragment-based drug discovery (FBDD) involves the screening of low-molecular-weight
compounds (typically ∼200 Da) against a target of interest, which can subsequently be …

… enhance their fragment-based PSP approaches … fragment-based PSP approaches, resampling
techniques and a description of the Rosetta tool, we propose to improve fragment-based …

… With my colleague Hrishikesh Dhondge (ESR3), we have developed an anchor-driven
fragment-based docking pipeline for RRM-ssRNA docking, as an updated version of an already …

… In this study, we tried to propose a novel GCN architecture, a fragment based graph neural
network (F-GCN), which can make accurate predictions of atomic/inter-atomic properties with …

… -term correlation, where studies for pluralistic image completion [31], [32], bridging the
interactions of different image regions [33], and large hole image inpainting [34] are promoted and …

… necessitates fragment based tracking of the displacement of a large areal object in images.
… The paper proposes a method of fragment based tracking of the displacement of a large …