mx cryo-em computational software-dev
MRC Laboratory of Molecular Biology / CCP4
Info
Scientist in the Garib Murshudov group at the MRC-LMB, Cambridge. Lead developer of ProSMART (PROcrustes Structural Matching Alignment and Restraints Tool) for conformation-independent structure comparison and generation of interatomic distance restraints for REFMAC5 refinement. Core contributor to recent REFMAC5 developments including neutron crystallographic refinement. CCP4 developer/contributor.
Handoff context
Nicholls is the current-generation continuity of the REFMAC development lineage, working directly with Garib Murshudov at MRC-LMB and bringing REFMAC into new regimes (neutron crystallography, cryo-EM).
Key Relationships
- Garib Murshudov — MRC-LMB group leader; REFMAC5 PI
- ProSMART — lead developer
- CCP4 developer/contributor
- MRC Laboratory of Molecular Biology refinement / model-building group
Sources
- CCP4 People page: https://www.ccp4.ac.uk/about/people/
- ProSMART paper (Nicholls et al., 2014)
- Neutron REFMAC5 paper: https://pmc.ncbi.nlm.nih.gov/articles/PMC7615533/