Mathematical and computational modeling in biology at multiple scales

Jack A Tuszynski, Philip Winter, Diana White, Chih-Yuan Tseng, Kamlesh K Sahu, Francesco Gentile, Ivana Spasevska, Sara Omar, Niloofar Nayebi, Cassandra DM Churchill, Mariusz Klobukowski, Rabab M El-Magd
2014 Theoretical Biology and Medical Modelling  
A variety of topics are reviewed in the area of mathematical and computational modeling in biology, covering the range of scales from populations of organisms to electrons in atoms. The use of maximum entropy as an inference tool in the fields of biology and drug discovery is discussed. Mathematical and computational methods and models in the areas of epidemiology, cell physiology and cancer are surveyed. The technique of molecular dynamics is covered, with special attention to force fields for
more » ... protein simulations and methods for the calculation of solvation free energies. The utility of quantum mechanical methods in biophysical and biochemical modeling is explored. The field of computational enzymology is examined.
doi:10.1186/1742-4682-11-52 pmid:25542608 pmcid:PMC4396153 fatcat:aq4cuo4sebhijl2hddggtixssm