Crossref
journal-article
American Chemical Society (ACS)
Journal of Chemical Theory and Computation (316)
References
116
Referenced
768
10.1042/bst0100301
/ Biochem. Soc. Trans. by van Gunsteren W. F. (1982)10.1021/bi00539a001
/ Biochemistry by van Gunsteren W. F. (1982)10.1021/ar000033j
/ Acc. Chem. Res. by Kollman P. A. (2000)10.1002/anie.200502655
/ Angew. Chem., Int. Ed. by van Gunsteren W. F. (2006)10.1016/S0022-2836(83)80305-2
/ J. Mol. Biol. by Levitt M (1983)10.1038/nsb0902-646
/ Nat. Struct. Biol. by Karplus M. (2002){'key': 'ct700119mb00007/ct700119mb00007_1', 'first-page': '471', 'volume': '51', 'author': 'Cheatham T. E.', 'year': '2000', 'journal-title': 'Ann. Rev. Phys. Chem.'}
/ Ann. Rev. Phys. Chem. by Cheatham T. E. (2000)10.1126/science.282.5389.740
/ Science by Duan Y. (1998)10.1016/S0959-440X(02)00308-1
/ Curr. Opin. Struct. Biol. by Hansson T. (2002){'key': 'ct700119mb00010/ct700119mb00010_1', 'first-page': '247', 'volume': '66', 'author': 'Tajkhorshid E.', 'year': '2003', 'journal-title': 'Adv. Protein Chem.'}
/ Adv. Protein Chem. by Tajkhorshid E. (2003){'key': 'ct700119mb00011/ct700119mb00011_1', 'first-page': '367', 'volume': '14', 'author': 'Cheatham T. E., III', 'year': '2004', 'journal-title': 'Curr. Opin. Struct. Biol.'}
/ Curr. Opin. Struct. Biol. by Cheatham T. E., III (2004)10.1016/j.sbi.2004.03.009
/ Curr. Opin. Struct. Biol. by Feig M. (2004){'key': 'ct700119mb00013/ct700119mb00013_1', 'first-page': '121', 'volume': '66', 'author': 'Wong C. F.', 'year': '2003', 'journal-title': 'Adv. Protein Chem.'}
/ Adv. Protein Chem. by Wong C. F. (2003)10.1073/pnas.0605534104
/ Proc. Natl. Acad. Sci. by Rueda D. (2007)10.1021/ar0100172
/ Acc. Chem. Res. by Brooks C. I (2002)10.1021/ar0100834
/ Acc. Chem. Res. by Daggett V (2002)10.1021/ja0273851
/ J. Am. Chem. Soc. by Simmerling C. (2002)10.1002/bip.10219
/ Biopolymers by Pande V. S. (2003)10.1016/j.jmb.2006.04.070
/ J. Mol. Biol. by Wickstrom L. (2006){'key': 'ct700119mb00020/ct700119mb00020_1', 'first-page': '686', 'volume': '366', 'author': 'Day R.', 'year': '2006', 'journal-title': 'J. Mol. Biol.'}
/ J. Mol. Biol. by Day R. (2006)10.1073/pnas.0606692103
/ Proc. Natl. Acad. Sci. by Juraszek J. (2006)10.1021/ja060972s
/ J. Am. Chem. Soc. by Eleftheriou M. (2006)10.1002/prot.21264
/ Proteins by Yoda T. (2007)10.1016/j.jmb.2006.11.015
/ J. Mol. Biol. by Baumketner A. (2007){'key': 'ct700119mb00025/ct700119mb00025_1', 'first-page': '2937', 'volume': '129', 'author': 'Chen H. F.', 'year': '2007', 'journal-title': 'J. Am. Chem. Soc.'}
/ J. Am. Chem. Soc. by Chen H. F. (2007)10.1016/j.jsb.2006.10.031
/ J. Struct. Biol. by Paschek D. (2007){'key': 'ct700119mb00027/ct700119mb00027_1', 'first-page': '349', 'volume': '67', 'author': 'Li W.', 'year': '2007', 'journal-title': 'Proteins'}
/ Proteins by Li W. (2007)10.1063/1.2404954
/ J. Chem. Phys. by Periole X. (2007)10.1146/annurev.physchem.58.032806.104614
/ Ann. Rev. Phys. Chem. by Scheraga H. A. (2007)10.1021/ja025660d
/ J. Am. Chem. Soc. by Spackova N. (2003){'key': 'ct700119mb00031/ct700119mb00031_1', 'first-page': '15456', 'volume': '103', 'author': 'Bui J. M.', 'year': '2006', 'journal-title': 'Proc. Natl. Acad. Sci.'}
/ Proc. Natl. Acad. Sci. by Bui J. M. (2006){'key': 'ct700119mb00032/ct700119mb00032_1', 'first-page': '11839', 'volume': '128', 'author': 'Lu Y.', 'year': '2006', 'journal-title': 'J. Am. Chem. Soc.'}
/ J. Am. Chem. Soc. by Lu Y. (2006){'key': 'ct700119mb00033/ct700119mb00033_1', 'first-page': '1068', 'volume': '64', 'author': 'Xu Y.', 'year': '2006', 'journal-title': 'Proteins'}
/ Proteins by Xu Y. (2006)10.1002/prot.21376
/ Proteins by de Jonge M. R. (2007){'key': 'ct700119mb00035/ct700119mb00035_1', 'first-page': '1777', 'volume': '50', 'author': 'Ode H.', 'year': '2007', 'journal-title': 'J. Med. Chem.'}
/ J. Med. Chem. by Ode H. (2007)10.1073/pnas.0508452103
/ Proc. Natl. Acad. Sci. by Hornak V. (2006)10.1021/ja058211x
/ J. Am. Chem. Soc. by Hornak V. (2006)10.1016/j.str.2006.08.004
/ Structure by Lankas F. (2006){'key': 'ct700119mb00039/ct700119mb00039_1', 'first-page': '3338', 'volume': '35', 'author': 'Noy A.', 'year': '2007', 'journal-title': 'Nucl. Acids Res.'}
/ Nucl. Acids Res. by Noy A. (2007)10.1063/1.2719697
/ J. Chem. Phys. by van der Vaart A. (2007)10.1063/1.2714539
/ J. Chem. Phys. by Noe F. (2007){'key': 'ct700119mb00042/ct700119mb00042_1', 'first-page': '5433', 'volume': '111', 'author': 'Li D. W.', 'year': '2007', 'journal-title': 'J. Phys. Chem. B'}
/ J. Phys. Chem. B by Li D. W. (2007){'key': 'ct700119mb00043/ct700119mb00043_1', 'first-page': '326', 'volume': '13', 'author': 'Patel S.', 'year': '2007', 'journal-title': 'J. Pept. Sci.'}
/ J. Pept. Sci. by Patel S. (2007)10.1002/bip.20690
/ Biopolymers by Roccatano D. (2007)10.1093/nar/gkl1104
/ Nucl. Acids Res. by Sefcikova J. (2007)10.1016/j.str.2006.02.012
/ Structure by Razga F. (2006)10.1016/j.jsb.2006.10.022
/ J. Struct. Biol. by Kormos B. L. (2007)10.1021/bi00053a005
/ Biochemistry by Karpen M. E. (1993)10.1002/jcc.540150811
/ J. Comput. Chem. by Shenkin P. S. (1994){'key': 'ct700119mb00050/ct700119mb00050_1', 'first-page': '367', 'volume': '134', 'author': 'Cormack R. M', 'year': '1971', 'journal-title': 'J. R. Stat. Soc. A'}
/ J. R. Stat. Soc. A by Cormack R. M (1971){'key': 'ct700119mb00051/ct700119mb00051_1', 'first-page': '323', 'volume': '31', 'author': 'Jain A. K.', 'year': '1999', 'journal-title': 'ACM Comp. Surv.'}
/ ACM Comp. Surv. by Jain A. K. (1999)10.1002/jcc.540151203
/ J. Comput. Chem. by Torda A. E. (1994)10.1016/0006-291X(83)91836-3
/ Biochem. Biophys. Res. Comm. by Marchionini C. (1983)- Willett, P.Similarity and clustering in chemical information systems; John Wiley & Sons, Inc. New York, 1987; Vol 1, p 266.
10.1007/BF01590997
/ J. Comput.-Aided Mol. Des. by Kreissler M. (1989)10.1002/prot.340050410
/ Proteins by Unger R. (1989)10.1002/prot.340140211
/ Proteins by Gordon H. L. (1992)10.1016/0097-8485(93)80028-C
/ Comput. Chem. by Michel A. (1993)10.1002/prot.340230111
/ Proteins by Troyer J. M. (1995)10.1002/(SICI)1097-0134(19990215)34:3<269::AID-PROT1>3.0.CO;2-3
/ Proteins by Daura X. (1999)10.1016/S0097-8485(00)00067-X
/ Comput. Chem. by Gabarro-Arpa J. (2000)10.1080/07391102.2001.10506703
/ J. Biomol. Struct. Dyn. by Watts C. R. (2001)10.1002/prot.10081
/ Proteins by Laboulais C. (2002){'key': 'ct700119mb00064/ct700119mb00064_1', 'first-page': '818', 'volume': '43', 'author': 'Feher M.', 'year': '2003', 'journal-title': 'J. Chem. Inf. Comput. Sci.'}
/ J. Chem. Inf. Comput. Sci. by Feher M. (2003)10.1002/prot.10252
/ Proteins by Bystroff C. (2003)10.1016/S0006-3495(03)75021-8
/ Biophys. J. by Moraitakis G. (2003){'key': 'ct700119mb00067/ct700119mb00067_1', 'first-page': '3146', 'volume': '88', 'author': 'Lee M. C.', 'year': '2005', 'journal-title': 'Biophys. J.'}
/ Biophys. J. by Lee M. C. (2005)10.1063/1.1893753
/ J. Chem. Phys. by Rao F. (2005)10.1529/biophysj.106.082941
/ Biophys. J. by Lyman E. (2006){'key': 'ct700119mb00070/ct700119mb00070_1', 'first-page': '16717', 'volume': '110', 'author': 'Sullivan D. C.', 'year': '2006', 'journal-title': 'J. Phys. Chem. B'}
/ J. Phys. Chem. B by Sullivan D. C. (2006){'key': 'ct700119mb00071/ct700119mb00071_1', 'first-page': '1750', 'volume': '46', 'author': 'Li Y', 'year': '2006', 'journal-title': 'J. Chem. Inf. Model.'}
/ J. Chem. Inf. Model. by Li Y (2006)10.1063/1.1812272
/ J. Chem. Phys. by Elmer S. P. (2004){'key': 'ct700119mb00073/ct700119mb00073_1', 'first-page': '2493', 'volume': '88', 'author': 'Sorin E. J.', 'year': '2005', 'journal-title': 'Biophys. J.'}
/ Biophys. J. by Sorin E. J. (2005){'key': 'ct700119mb00074/ct700119mb00074_1', 'first-page': '621', 'volume': '102', 'author': 'Sims G. E.', 'year': '2005', 'journal-title': 'Proc. Natl. Acad. Sci.'}
/ Proc. Natl. Acad. Sci. by Sims G. E. (2005)10.1016/j.febslet.2006.05.015
/ FEBS Lett. by Satoh D. (2006)10.1073/pnas.2133986100
/ Proc. Natl. Acad. Sci. by Scott E. E. (2003)10.1016/0022-2836(92)90632-T
/ J. Mol. Biol. by Poncin M. (1992){'key': 'ct700119mb00078/ct700119mb00078_1', 'first-page': '9409', 'volume': '120', 'author': 'Srinivasan J.', 'year': '1998', 'journal-title': 'J. Am. Chem. Soc.'}
/ J. Am. Chem. Soc. by Srinivasan J. (1998)10.1016/0009-2614(93)89366-P
/ Chem. Phys. Lett. by Schlitter J (1993)10.1021/ja016233n
/ J. Am. Chem. Soc. by Harris S. A. (2001){'key': 'ct700119mb00081/ct700119mb00081_1', 'first-page': '465', 'volume-title': 'Improving inference through conceptual clustering', 'author': 'Fisher D.', 'year': '1987'}
/ Improving inference through conceptual clustering by Fisher D. (1987){'key': 'ct700119mb00082/ct700119mb00082_1', 'first-page': '172', 'volume': '2', 'author': 'Fisher D', 'year': '1987', 'journal-title': 'Machine Learning'}
/ Machine Learning by Fisher D (1987){'key': 'ct700119mb00083/ct700119mb00083_1', 'first-page': '83', 'volume-title': 'Advances in knowledge discovery and data mining', 'author': 'Cheeseman P.', 'year': '1996'}
/ Advances in knowledge discovery and data mining by Cheeseman P. (1996)-
Kohonen, T.Self-organizing maps, 3rd ed.; Springer: Berlin-Heidelberg, 2001; Vol. 30, p 501.
(
10.1007/978-3-642-56927-2
) 10.1016/0010-4655(95)00041-D
/ Comp. Phys. Comm. by Pearlman D. A. (1995){'key': 'ct700119mb00086/ct700119mb00086_1', 'first-page': '1688', 'volume': '26', 'author': 'Case D. A.', 'year': '2005', 'journal-title': 'J. Comput. Chem.'}
/ J. Comput. Chem. by Case D. A. (2005)-
Guha, S.; Rastogi, R.; Shim, K. InCURE: An efficient clusteringalgorithm for large databases; Proceedings of the ACM SIGMOD International Conference on Management of Data: New York, 1998; pp 73−84.
(
10.1145/276305.276312
) - Witten, I. H.; Frank, E.Data mining: Practical machine learning toolsand techniques with Java implementations; Morgan Kaufmann: 1999; p 525.
- Kohonen, T.Self-organization and Associative Memory; Springer-Verlag: Berlin, 2001; Vol. 30, p 501.
{'key': 'ct700119mb00090/ct700119mb00090_1', 'first-page': '227', 'volume': '1', 'author': 'Davies D. L.', 'year': '1979', 'journal-title': 'IEEE Trans. Pattern Anal. Mach. Intelligence'}
/ IEEE Trans. Pattern Anal. Mach. Intelligence by Davies D. L. (1979)10.1109/72.846731
/ IEEE Trans. Neural Networks by Vesanto J. (2000)- Bolshakova, N.; Azuaje, F.Cluster validation techniques for genomeexpression data; University of Dublin, Trinity College: Dublin, 2002; p 13.
10.1007/11552253_39
/ Advances in intelligent data analysis VI by Speer N. (2005){'key': 'ct700119mb00094/ct700119mb00094_1', 'first-page': '27', 'volume': '3', 'author': 'Calinski T.', 'year': '1974', 'journal-title': 'Comm. Stat.'}
/ Comm. Stat. by Calinski T. (1974)- Mitchell, T.Machine Learning; McGraw-Hill: 1997; p 432.
10.1016/0021-9991(77)90098-5
/ J. Comp. Phys. by Ryckaert J. P. (1977){'key': 'ct700119mb00097/ct700119mb00097_1', 'first-page': '3690', 'volume': '81', 'author': 'Berendsen H. J. C.', 'year': '1984', 'journal-title': 'J. Comp. Phys.'}
/ J. Comp. Phys. by Berendsen H. J. C. (1984)10.1021/ja00124a002
/ J. Am. Chem. Soc. by Cornell W. D. (1995)10.1063/1.445869
/ J. Chem. Phys. by Jorgensen W. L. (1983)10.1021/j100384a009
/ J. Phys. Chem. by Aqvist J (1990)10.1080/07391102.1998.10508245
/ J. Biomol. Struct. Dyn. by Cheatham T. E. (1998)10.1021/jp980839p
/ J. Phys. Chem. by Wu X. W. (1998){'key': 'ct700119mb00103/ct700119mb00103_1', 'first-page': '2235', 'volume': '105', 'author': 'Wu X.', 'year': '2001', 'journal-title': 'J. Phys. Chem. B'}
/ J. Phys. Chem. B by Wu X. (2001){'key': 'ct700119mb00104/ct700119mb00104_1', 'first-page': '1958', 'volume': '86', 'author': 'Wu X.', 'year': '2004', 'journal-title': 'Biophys. J.'}
/ Biophys. J. by Wu X. (2004){'key': 'ct700119mb00105/ct700119mb00105_1', 'first-page': '5283', 'volume': '124', 'author': 'Wu X.', 'year': '2002', 'journal-title': 'J. Am. Chem. Soc.'}
/ J. Am. Chem. Soc. by Wu X. (2002)10.1002/jcc.20084
/ J. Comput. Chem. by Pettersen E. F. (2004)10.1021/jm970570i
/ J. Med. Chem. by Boykin D. W. (1998){'key': 'ct700119mb00108/ct700119mb00108_1', 'first-page': '10321', 'volume': '120', 'author': 'Wilson W. D.', 'year': '1998', 'journal-title': 'J. Am. Chem. Soc.'}
/ J. Am. Chem. Soc. by Wilson W. D. (1998)10.1006/jmbi.2000.3869
/ J. Mol. Biol. by Mazur S. (2000)10.1016/0009-2614(95)01082-K
/ Chem. Phys. Lett. by Hawkins G. D. (1995)10.1021/ja9939385
/ J. Am. Chem. Soc. by Tsui V. (2000)10.1016/j.jmgm.2005.12.005
/ J. Mol. Graphics Modell. by Wang J. (2006){'key': 'ct700119mb00113/ct700119mb00113_1', 'first-page': '1228', 'volume': '22', 'author': 'Wang J.', 'year': '2001', 'journal-title': 'J. Comput. Chem.'}
/ J. Comput. Chem. by Wang J. (2001)10.1021/j100142a004
/ J. Phys. Chem. by Bayly C. I. (1993){'key': 'ct700119mb00115/ct700119mb00115_1', 'volume-title': 'Gaussian 98 (Revision A.10)', 'author': 'Frisch M. J.', 'year': '2001'}
/ Gaussian 98 (Revision A.10) by Frisch M. J. (2001)10.1021/bi952162r
/ Biochemistry by Laughton C. A. (1996)
Dates
Type | When |
---|---|
Created | 17 years, 9 months ago (Nov. 13, 2007, 5 a.m.) |
Deposited | 1 year, 6 months ago (Feb. 18, 2024, 7:02 p.m.) |
Indexed | 3 days, 2 hours ago (Aug. 28, 2025, 8:07 a.m.) |
Issued | 17 years, 10 months ago (Oct. 6, 2007) |
Published | 17 years, 10 months ago (Oct. 6, 2007) |
Published Online | 17 years, 10 months ago (Oct. 6, 2007) |
Published Print | 17 years, 9 months ago (Nov. 1, 2007) |
@article{Shao_2007, title={Clustering Molecular Dynamics Trajectories: 1. Characterizing the Performance of Different Clustering Algorithms}, volume={3}, ISSN={1549-9626}, url={http://dx.doi.org/10.1021/ct700119m}, DOI={10.1021/ct700119m}, number={6}, journal={Journal of Chemical Theory and Computation}, publisher={American Chemical Society (ACS)}, author={Shao, Jianyin and Tanner, Stephen W. and Thompson, Nephi and Cheatham, Thomas E.}, year={2007}, month=oct, pages={2312–2334} }