Design and application of implicit solvent models in biomolecular simulations
•Implicit solvent replaces explicit water by a potential of mean force.•Popular models are SASA, VOL and Generalized Born.•Implicit solvent is used in MD, protein modelling, folding, design, prediction and drug screening.•Large-scale simulations allow for parametrisation via force matching.•Applicat...
| Main Authors: | , |
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| Format: | Online |
| Language: | English |
| Published: |
Elsevier Science
2014
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| Online Access: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4045398/ |