DOI: 10.1021/acs.macromol.6b01747. Designing Sequence-Specific Copolymer Compatibilizers Using a Molecular-Dynamics-Simulation-Based Genetic Algorithm

Designing Sequence-Specific Copolymer Compatibilizers Using a Molecular-Dynamics-Simulation-Based Genetic Algorithm

10.1021/acs.macromol.6b01747

Crossref journal-article

American Chemical Society (ACS)

Macromolecules (316)

Bibliography

Meenakshisundaram, V., Hung, J.-H., Patra, T. K., & Simmons, D. S. (2017). Designing Sequence-Specific Copolymer Compatibilizers Using a Molecular-Dynamics-Simulation-Based Genetic Algorithm. Macromolecules, 50(3), 1155â1166.

Authors 4

Venkatesh Meenakshisundaram (first)
Jui-Hsiang Hung (additional)
Tarak K. Patra (additional)
David S. Simmons (additional)

References 91 Referenced 68

10.1021/jp952422e
10.1021/ma00224a005
10.1021/ma00105a028
10.1021/ma980727w
10.1126/science.287.5457.1477
10.1126/science.1057561
10.1126/science.2426778
10.1126/science.1079731
10.1073/pnas.73.3.804
10.1126/science.2667136
10.1021/bi00166a002
10.1002/(SICI)1099-0488(19960715)34:9<1691::AID-POLB18>3.0.CO;2-2
10.1002/masy.19880160109
10.1021/ma00112a009
10.1021/ma9602482
10.1002/cjce.5450800601
10.1021/ma00193a074
10.1021/ma011701z
10.1038/nmat1295
10.1103/PhysRevE.52.5061
10.1103/PhysRevLett.73.2472
10.1021/acssuschemeng.5b00740
10.1021/ie503645a
10.1021/ma00081a015
10.1021/nn800108y
10.1063/1.4870592
10.1039/C4RA01961J
10.1021/mz500793e
10.1021/acs.macromol.5b00890
10.1038/nchem.1577
10.1126/science.1238149
10.1002/anie.201206476
10.1002/anie.201002721
10.1021/ma0703711
10.1021/ja102670n
10.1021/ja200895s
10.1016/S0378-4371(97)00473-1
10.1103/PhysRevLett.82.3456
10.1021/ma034456n
10.1021/ma011881c
10.1021/ja00028a048
10.1126/science.281.5375.389
10.1039/b105185g
10.1016/j.copbio.2003.10.011
10.1038/nature02388
10.1063/1.470691
10.1016/0927-0256(95)00043-7
10.1016/S1089-3156(98)00023-3
10.1063/1.475538
10.1073/pnas.96.21.11690
10.1073/pnas.96.21.11707
10.1063/1.481582
10.1103/PhysRevE.63.022601
10.1016/S0001-8686(01)00057-4
10.1103/PhysRevLett.94.078103
10.1016/0022-2836(88)90564-5
10.1002/prot.340190108
10.1016/S0097-8485(01)00094-8
10.1002/bip.360221211
10.1093/nar/28.1.235 / Nucleic Acids Res. by Berman H. M. (2000)
10.1093/nar/gkg095
So, S.S.; Karplus, M.Evolutionary Optimization in Quantitative Structure–Activity Relationship: An Application of Genetic Neural Networks;http://pubs.acs.org/doi/abs/10.1021/jm9507035(accessed Aug 6, 2016) .
10.1021/jm970487v
10.1073/pnas.95.21.12179
10.1016/j.chemphys.2010.06.013
10.1023/B:APIN.0000021414.50728.34
10.1021/mz500361v
10.1016/0263-7855(96)00018-5
10.1063/1.458541
10.1088/0953-8984/17/32/R02
10.1021/ma502309h
10.1002/polb.23398
10.1021/ma401525q
10.1038/ncomms5163
10.1103/PhysRevLett.97.045502
10.1039/c2sm07395a
10.1103/PhysRevA.33.3628
10.1002/jcc.21224
10.1006/jcph.1995.1039
10.1063/1.459140
10.1021/j100191a062
{'volume-title': 'Genetic Algorithms in Search, Optimization, and Machine Learning', 'year': '1989', 'author': 'Goldberg D. E.', 'key': 'ref82/cit82'} / Genetic Algorithms in Search, Optimization, and Machine Learning by Goldberg D. E. (1989)
10.7551/mitpress/3927.001.0001 / An Introduction to Genetic Algorithms by Mitchell M. (1998)
10.1002/9780470640425 / Engineering Optimization: An Introduction with Metaheuristic Applications by Yang X.-S. (2010)
Baluja, S.; Caruana, R.Machine Learning: Proceedings of the Twelfth International Conference;Morgan Kaufmann: 1995.
10.1007/BF00175354
10.1007/s10853-012-6639-0
10.1016/j.polymer.2013.12.069
10.1016/0098-1354(93)E0023-3
10.1007/BF00117275
10.1002/(SICI)1096-987X(19981115)19:14<1639::AID-JCC10>3.0.CO;2-B

Dates

Type	When
Created	8 years, 7 months ago (Jan. 13, 2017, 10:28 a.m.)
Deposited	2 years, 4 months ago (April 15, 2023, 8:39 a.m.)
Indexed	1 month, 2 weeks ago (July 16, 2025, 8:38 a.m.)
Issued	8 years, 7 months ago (Jan. 13, 2017)
Published	8 years, 7 months ago (Jan. 13, 2017)
Published Online	8 years, 7 months ago (Jan. 13, 2017)
Published Print	8 years, 6 months ago (Feb. 14, 2017)

Funders 1

W. M. Keck Foundation 10.13039/100000888
Region: Americas
pri (Trusts, charities, foundations (both public and private))
Labels3
1. Keck Foundation
2. The W. M. Keck Foundation
3. WMKF

BibTeX

@article{Meenakshisundaram_2017, title={Designing Sequence-Specific Copolymer Compatibilizers Using a Molecular-Dynamics-Simulation-Based Genetic Algorithm}, volume={50}, ISSN={1520-5835}, url={http://dx.doi.org/10.1021/acs.macromol.6b01747}, DOI={10.1021/acs.macromol.6b01747}, number={3}, journal={Macromolecules}, publisher={American Chemical Society (ACS)}, author={Meenakshisundaram, Venkatesh and Hung, Jui-Hsiang and Patra, Tarak K. and Simmons, David S.}, year={2017}, month=jan, pages={1155–1166} }

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