Multiscale modeling of biological functions
Kamerlin, Shina Caroline Lynn LU
and Warshel, Arieh
(2011)
In Physical chemistry chemical physics : PCCP
13(22).
p.11-10401
- Abstract
Recent years have witnessed a tremendous explosion in computational power, which in turn has resulted in great progress in the complexity of the biological and chemical problems that can be addressed by means of all-atom simulations. Despite this, however, our computational time is not infinite, and in fact many of the key problems of the field were resolved long before the existence of the current levels of computational power. This review will start by presenting a brief historical overview of the use of multiscale simulations in biology, and then present some key developments in the field, highlighting several cases where the use of a physically sound simplification is clearly superior to a brute-force approach. Finally, some... (More)
Recent years have witnessed a tremendous explosion in computational power, which in turn has resulted in great progress in the complexity of the biological and chemical problems that can be addressed by means of all-atom simulations. Despite this, however, our computational time is not infinite, and in fact many of the key problems of the field were resolved long before the existence of the current levels of computational power. This review will start by presenting a brief historical overview of the use of multiscale simulations in biology, and then present some key developments in the field, highlighting several cases where the use of a physically sound simplification is clearly superior to a brute-force approach. Finally, some potential future directions will be discussed.
(Less)
- author
- Kamerlin, Shina Caroline Lynn
LU
and Warshel, Arieh
- publishing date
- 2011-06-14
- type
- Contribution to journal
- publication status
- published
- keywords
- Computer Simulation, Models, Biological, Quantum Theory, Thermodynamics
- in
- Physical chemistry chemical physics : PCCP
- volume
- 13
- issue
- 22
- pages
- 11 pages
- publisher
- Royal Society of Chemistry
- external identifiers
-
- scopus:79959687232
- pmid:21526232
- ISSN
- 1463-9084
- DOI
- 10.1039/c0cp02823a
- language
- English
- LU publication?
- no
- additional info
- This journal is © the Owner Societies 2011
- id
- 9ae6eb60-ed2e-436c-b106-cc8a34f1ee62
- date added to LUP
- 2025-01-11 22:10:54
- date last changed
- 2025-04-06 11:27:55
@article{9ae6eb60-ed2e-436c-b106-cc8a34f1ee62,
abstract = {{<p>Recent years have witnessed a tremendous explosion in computational power, which in turn has resulted in great progress in the complexity of the biological and chemical problems that can be addressed by means of all-atom simulations. Despite this, however, our computational time is not infinite, and in fact many of the key problems of the field were resolved long before the existence of the current levels of computational power. This review will start by presenting a brief historical overview of the use of multiscale simulations in biology, and then present some key developments in the field, highlighting several cases where the use of a physically sound simplification is clearly superior to a brute-force approach. Finally, some potential future directions will be discussed.</p>}},
author = {{Kamerlin, Shina Caroline Lynn and Warshel, Arieh}},
issn = {{1463-9084}},
keywords = {{Computer Simulation; Models, Biological; Quantum Theory; Thermodynamics}},
language = {{eng}},
month = {{06}},
number = {{22}},
pages = {{11--10401}},
publisher = {{Royal Society of Chemistry}},
series = {{Physical chemistry chemical physics : PCCP}},
title = {{Multiscale modeling of biological functions}},
url = {{http://dx.doi.org/10.1039/c0cp02823a}},
doi = {{10.1039/c0cp02823a}},
volume = {{13}},
year = {{2011}},
}