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Comp. Chem. Paper of the Month – Dec 2023
Modelling P-gp efflux may help us design better molecules
Comp. Chem. Paper of the Month – Nov 2023
Where Old Meets New: Advancements in AlphaFold with Some Help
MedChem paper of the month – Nov 2023
The Importance of Tracking "Missing' Metabolites: How and Why? Throughout
Comp. Chem. Paper of the Month – June 2023
Machine Learning Strategies for Reaction Development: Toward the Low-Data Limit
MedChem paper of the month June 2023
Discovery of an Oral, Beyond-Rule-of-Five Mcl‐1 Protein−Protein Interaction Modulator with
Comp. Chem. Paper of the Month – April 2023
Fast calculation of hydrogen-bond strengths and free energy of hydration
Med Chem – Paper of the Month – Apr 2023
Discovery of the Potent and Selective MC4R Antagonist PF-07258669 for
MCPairs v1.9 release, featuring CoreDesign®
MCPairs v1.9 release is automatically available to all users: MCPairs
Med Chem. Paper of the Month – Feb 2023
Med Chem Paper of the Month – Jan/Feb 2023 This
Comp. Chem. Paper of the Month – Feb 2023
A Review of Computational Approaches Targeting SARS-CoV-2 Main
Beyond Rule of Five – A MedChemica Review
Recent bRo5 publications Figure 1: Picture summarising the limitations of obeying
Comp. Chem. Paper of the Month – Dec 2022
Exposing the Limitations of Molecular Machine Learning with Activity Cliffs
Med Chem Paper of the Month – Dec 2022
Design and Structural Optimization of Orally Bioavailable SOS1 Inhibitors for
Med Chem Paper of the Month – Sept 2022
Structure-Based Design of Potent, Selective, and Orally Bioavailable VPS34 Kinase
Direct SARkush – Light touch Graphics User Interface
Available Immediately - Direct SARkush We have added a lightweight
The journey to CoreDesign(R)
From PhD to Drug Hunter By Dr Jess Stacey When
Comp. Chem. Paper of the Month – August 2022
Boosting Protein−Ligand Binding Pose Prediction and Virtual Screening Based on
Med Chem Paper of the Month – August 2022
Discovery of an Orally Bioavailable and Selective PKMYT1 Inhibitor, RP-6306
How is the Green Commuting going?
Not Burning Enough Calories: An odd thing has happened, well
Bicycle Races – An Update for Summer 2022
Bicycle Race - By Queen (given a bit of an
Comp. Chem. Paper of the Month – July 2022
There be Rings in them Drugs This month, we choose
A Cheminformatics Journey to Develop SARkush(R)
Life after a PhD By Dr Lauren Reid When I
Med Chem Paper of the Month – July 2022
Glioblastoma: Current Status, Emerging Targets, and Recent Advances I am
Got the keys to the New Office
MedChemica on the Move. Here it is The Motorworks in
MCPairs v1.8 release – A tour of new features
MCPairs v1.8 release is automatically available to all users: MCPairs