Data mining of molecular dynamics trajectories of nucleic acids

被引：11

作者：

Noy, A

Meyer, T

Rueda, M

Ferrer, C

Valencia, A

Pérez, A

de la Cruz, X

López-Bes, JM

Pouplana, R

Fernandez-Recio, J

Luque, JF

Orozco, M

机构：

[1] Inst Recerca Biomed Barcelona, E-08028 Barcelona, Spain

[2] Univ Barcelona, Fac Quim, Dept Bioquim & Biol Mol, E-08028 Barcelona, Spain

[3] ICREA, Barcelona 08018, Spain

[4] Univ Barcelona, Dept Farm, Unitat Fisicoquim, E-08028 Barcelona, Spain

[5] Barcelona Suporcomp Ctr, Computat Biol Program, Barcelona 08028, Spain

来源：

JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS | 2006年 / 23卷 / 04期

关键词：

D O I：

10.1080/07391102.2006.10507070

中图分类号：

Q5 [生物化学]; Q7 [分子生物学];

学科分类号：

071010 ; 081704 ;

摘要：

Analysis, storage, and transfer of molecular dynamic trajectories are becoming the bottleneck of computer simulations. In this paper we discuss different approaches for data mining and data processing of huge trajectory files generated from molecular dynamic simulations of nucleic acids.

引用

页码：447 / 455

页数：9

共 50 条

[1] Evaluating data mining algorithms using molecular dynamics trajectories
Tatsis, Vasileios A.
Tjortjis, Christos
Tzirakis, Panagiotis
INTERNATIONAL JOURNAL OF DATA MINING AND BIOINFORMATICS, 2013, 8 (02) : 169 - 187
[2] Molecular dynamics applied to nucleic acids
Norberg, J
Nilsson, L
ACCOUNTS OF CHEMICAL RESEARCH, 2002, 35 (06) : 465 - 472
[3] Simulations of the molecular dynamics of nucleic acids
Auffinger, P
Westhof, E
CURRENT OPINION IN STRUCTURAL BIOLOGY, 1998, 8 (02) : 227 - 236
[4] Molecular dynamics simulation of nucleic acids
Cheatham, TE
Kollman, PA
ANNUAL REVIEW OF PHYSICAL CHEMISTRY, 2000, 51 : 435 - 471
[5] Molecular dynamics studies of proteins and nucleic acids
Berendsen, Herman J. C.
CURRENT OPINION IN STRUCTURAL BIOLOGY, 1991, 1 (02) : 191 - 195
[6] Symmetrization of the backbone of nucleic acids: a molecular dynamics study
Pant, Pradeep
Pathak, Amita
Jayaram, B.
JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS, 2020, 38 (03): : 673 - 681
[7] Wavelet analysis of molecular dynamics simulations of nucleic acids
Heidari, Zahra
Roe, Daniel
Galindo, Rodrigo
Cheatham, Thomas
Ghasemi, Jahan
Jabbari, Ali
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2015, 250
[8] MOLECULAR-DYNAMICS OF PROTEINS AND NUCLEIC-ACIDS
VANGUNSTEREN, WF
FRESENIUS ZEITSCHRIFT FUR ANALYTISCHE CHEMIE, 1987, 327 (01): : 69 - 70
[9] Data mining molecular dynamics trajectory data
Cheatham, TE
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2003, 225 : U783 - U783
[10] Mining molecular dynamics data for molecular properties.
Wheeler, RA
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2003, 226 : U438 - U438

← 1 2 3 4 5 →