Comp. Chem. Paper of the month – Sept 2024
jacqui2025-07-25T08:37:32+00:00Simulation-driven design of stabilized SARS-CoV-2 spike S2 immunogens During the European Federation for Medicinal
Simulation-driven design of stabilized SARS-CoV-2 spike S2 immunogens During the European Federation for Medicinal
A Second-Generation Oral SARS-CoV‑2 Main Protease Inhibitor Clinical Candidate for the Treatment of COVID-19
Deriving general structure–activity/selectivity relationship patterns for different subfamilies of cyclin-dependent kinase inhibitors using machine
Modelling P-gp efflux may help us design better molecules In order to treat
The Importance of Tracking "Missing' Metabolites: How and Why? Throughout the course of in-vivo
Machine Learning Strategies for Reaction Development: Toward the Low-Data Limit This useful perspective article
Discovery of an Oral, Beyond-Rule-of-Five Mcl‐1 Protein−Protein Interaction Modulator with the Potential of Treating
A Review of Computational Approaches Targeting SARS-CoV-2 Main Protease to the Discovery
Recent bRo5 publications Figure 1: Picture summarising the limitations of obeying the Ro5 and the
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