Exploring Ligand Stability in Protein Crystal Structures using Binding Pose Metadynamics L Fusani, DS Palmer, DO Somers, I Wall Journal of Chemical Information and Modeling, 2020 | 67 | 2020 |
Optimal water networks in protein cavities with GAsol and 3D-RISM L Fusani, I Wall, D Palmer, A Cortes Bioinformatics 34 (11), 1947-1948, 2018 | 32 | 2018 |
Active learning strategies with COMBINE analysis: new tricks for an old dog L Fusani, AC Cabrera Journal of computer-aided molecular design 33 (2), 287-294, 2019 | 12 | 2019 |
Predicting the Risk of Phospholipidosis with in Silico Models and an Image-Based in Vitro Screen L Fusani, M Brown, H Chen, E Ahlberg, T Noeske Molecular pharmaceutics 14 (12), 4346-4352, 2017 | 10 | 2017 |
Evaluating the druggability of TrmD, a potential antibacterial target, through design and microbiological profiling of a series of potent TrmD inhibitors AJ Wilkinson, N Ooi, J Finlayson, VE Lee, D Lyth, KS Maskew, R Newman, ... Bioorganic & Medicinal Chemistry Letters 90, 129331, 2023 | 1 | 2023 |
Optimization of Potent Ligands for the E3 Ligase DCAF15 and Evaluation of Their Use in Heterobifunctional Degraders SCC Lucas, A Ahmed, SN Ashraf, A Argyrou, MR Bauer, GM De Donatis, ... Journal of Medicinal Chemistry, 2024 | | 2024 |
Structure-Guided Design of a Domain-Selective Bromodomain and Extra Terminal N-Terminal Bromodomain Chemical Probe E Bradley, L Fusani, C Chung, PD Craggs, EH Demont, PG Humphreys, ... Journal of Medicinal Chemistry, 2023 | | 2023 |
Sintesi e studi computazionali per lo sviluppo di nuovi ligandi selettivi per il recettore beta degli estrogeni L FUSANI | | 2014 |