massivemayhems profile

Recent Activity

• 14:53: posted Conformational Sampling of Bioactive Molecules: A Comparative Study

• 13:08: posted Discarding Functional Residues from the Substitution Table Improves Predictions of Active Sites within Three-Dimensional Structures

• 16:37: posted Can we separate active from inactive conformations?
• 16:24: posted Distinguishing between Bioactive and Modeled Compound Conformations through Mining of Emerging Chemical Patterns

• 12:02: posted Diverse, high-quality test set for the validation of protein-ligand docking performance.

• 14:58: posted Concept of Combinatorial De Novo Design of Drug-like Molecules by Particle Swarm Optimization
• 14:57: posted Deconstructing fragment-based inhibitor discovery.
• 11:09: posted Chemical Substructures that Enrich for Biological Activity.