Journal of Computer-Aided Molecular Design
A collaborative environment for developing and validating predictive tools for protein biophysical characteristics
Development and validation of an improved algorithm for overlaying flexible molecules
On the active site of mononuclear B1 metallo ß-lactamases: a computational study
Sialyldisaccharide conformations: a molecular dynamics perspective
Structure-based design of oxygen-linked macrocyclic kinase inhibitors: discovery of SB1518 and SB1578, potent inhibitors of Janus kinase 2 (JAK2) and Fms-like tyrosine kinase-3 (FLT3)
The state of the guanosine nucleotide allosterically affects the interfaces of tubulin in protofilament
Virtual screening using a conformationally flexible target protein: models for ligand binding to p38a MAPK