Mathematical and computational modeling in biology at multiple scales

被引：13

作者：

Tuszynski, Jack A. ^{[1
,2
]}

Winter, Philip ^{[2
]}

White, Diana ^{[2
]}

Tseng, Chih-Yuan ^{[2
]}

Sahu, Kamlesh K. ^{[1
]}

Gentile, Francesco ^{[3
]}

Spasevska, Ivana ^{[4
]}

Omar, Sara Ibrahim ^{[2
]}

Nayebi, Niloofar ^{[1
]}

Churchill, Cassandra D. M. ^{[5
]}

Klobukowski, Mariusz ^{[5
]}

Abou El-Magd, Rabab M. ^{[6
]}

机构：

[1] Univ Alberta, Dept Phys, Edmonton, AB, Canada

[2] Univ Alberta, Dept Oncol, Edmonton, AB, Canada

[3] Politecn Torino, Dept Mech & Aerosp Engn, Turin, Italy

[4] Ecole Normale Super Lyon, Dept Biol, F-69364 Lyon, France

[5] Univ Alberta, Dept Chem, Edmonton, AB, Canada

[6] Univ Alberta, Dept Biol Sci, Edmonton, AB, Canada

来源：

THEORETICAL BIOLOGY AND MEDICAL MODELLING | 2014年 / 11卷

基金：

加拿大自然科学与工程研究理事会;

关键词：

Mathematical biology; Epidemiological models; Cellular physiological models; Cancer models; Maximum entropy; Molecular dynamics; Force fields; Solvation free energies; Quantum mechanics; Computational enzymology; DENSITY-FUNCTIONAL THEORY; AB-INITIO QM/MM; GRAPHICAL PROCESSING UNITS; PARTICLE MESH EWALD; QUANTUM MECHANICS/MOLECULAR MECHANICS; MOLECULAR-DYNAMICS SIMULATIONS; NONUNIFORM POLYATOMIC SYSTEMS; HYDROPHOBIC-CORE FORMATION; TUMOR-CONTROL PROBABILITY; AMBIENT AQUEOUS-SOLUTION;

D O I：

10.1186/1742-4682-11-52

中图分类号：

Q [生物科学];

学科分类号：

07 ; 0710 ; 09 ;

摘要：

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 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.

引用

页数：42

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