iMODS: internal coordinates normal mode analysis server
Instituto de Química Física Blas Cabrera · Universitat Jaume I
Abstract
Normal mode analysis (NMA) in internal (dihedral) coordinates naturally reproduces the collective functional motions of biological macromolecules. iMODS facilitates the exploration of such modes and generates feasible transition pathways between two homologous structures, even with large macromolecules. The distinctive internal coordinate formulation improves the efficiency of NMA and extends its applicability while implicitly maintaining stereochemistry. Vibrational analysis, motion animations and morphing trajectories can be easily carried out at different resolution scales almost interactively. The server is versatile; non-specialists can rapidly characterize potential conformational changes, whereas…
Citation impact
- FWCI
- 3.41
- Percentile
- 100%
- References
- 29
Authors
4Topics & keywords
- Morphing
- Flexibility (engineering)
- Computer science
- Visualization
- Representation (politics)
- Normal mode
- Biological system
- Affine transformation