iGNM 2.0: the Gaussian network model database for biomolecular structural dynamics

被引:59
|
作者
Li, Hongchun [1 ]
Chang, Yuan-Yu [2 ]
Yang, Lee-Wei [2 ]
Bahar, Ivet [1 ]
机构
[1] Univ Pittsburgh, Sch Med, Dept Computat & Syst Biol, Pittsburgh, PA 15213 USA
[2] Natl Tsing Hua Univ, Inst Bioinformat & Struct Biol, Hsinchu 300, Taiwan
基金
美国国家卫生研究院;
关键词
PRINCIPAL COMPONENT ANALYSIS; PROTEIN DATA-BANK; CONFORMATIONAL-CHANGE; INTRINSIC DYNAMICS; X-RAY; EQUILIBRIUM DYNAMICS; FOLDED PROTEINS; NUCLEIC-ACIDS; WEB SERVER; MOTIONS;
D O I
10.1093/nar/gkv1236
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
Gaussian network model (GNM) is a simple yet powerful model for investigating the dynamics of proteins and their complexes. GNM analysis became a broadly used method for assessing the conformational dynamics of biomolecular structures with the development of a user-friendly interface and database, iGNM, in 2005. We present here an updated version, iGNM 2.0 http://gnmdb.csb.pitt.edu/,which covers more than 95% of the structures currently available in the Protein Data Bank (PDB). Advanced search and visualization capabilities, both 2D and 3D, permit users to retrieve information on inter-residue and inter-domain cross-correlations, cooperative modes of motion, the location of hinge sites and energy localization spots. The ability of iGNM 2.0 to provide structural dynamics data on the large majority of PDB structures and, in particular, on their biological assemblies makes it a useful resource for establishing the bridge between structure, dynamics and function.
引用
收藏
页码:D415 / D422
页数:8
相关论文
共 50 条
  • [1] iGNM:: a database of protein functional motions based on Gaussian Network Model
    Yang, LW
    Liu, X
    Jursa, CJ
    Holliman, M
    Rader, A
    Karimi, HA
    Bahar, I
    BIOINFORMATICS, 2005, 21 (13) : 2978 - 2987
  • [2] oGNM:: online computation of structural dynamics using the Gaussian Network Model
    Yang, Lee-Wei
    Rader, A. J.
    Liu, Xiong
    Jursa, Cristopher Jon
    Chen, Shann Ching
    Karimi, Hassan A.
    Bahar, Ivet
    NUCLEIC ACIDS RESEARCH, 2006, 34 : W24 - W31
  • [3] Biomolecular interaction network database
    Gilbert, D
    BRIEFINGS IN BIOINFORMATICS, 2005, 6 (02) : 194 - 198
  • [4] BIND: the Biomolecular Interaction Network Database
    Bader, GD
    Betel, D
    Hogue, CWV
    NUCLEIC ACIDS RESEARCH, 2003, 31 (01) : 248 - 250
  • [5] BIND - The Biomolecular Interaction Network Database
    Bader, GD
    Donaldson, I
    Wolting, C
    Ouellette, BFF
    Pawson, T
    Hogue, CWV
    NUCLEIC ACIDS RESEARCH, 2001, 29 (01) : 242 - 245
  • [6] Learning Latent Variable Gaussian Graphical Model for Biomolecular Network with Low Sample Complexity
    Wang, Yanbo
    Liu, Quan
    Yuan, Bo
    COMPUTATIONAL AND MATHEMATICAL METHODS IN MEDICINE, 2016, 2016
  • [7] Acceleration of biomolecular kinetics in Gaussian accelerated molecular dynamics
    Miao, Yinglong
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2018, 256
  • [8] Acceleration of biomolecular kinetics in Gaussian accelerated molecular dynamics
    Miao, Yinglong
    JOURNAL OF CHEMICAL PHYSICS, 2018, 149 (07):
  • [9] Elastic Network Model: A Coarse-Grained Approach to the Study of Biomolecular Dynamics
    Soon Woo Park
    Byung Ho Lee
    Moon Ki Kim
    Multiscale Science and Engineering, 2023, 5 (3-4) : 104 - 118
  • [10] Exploring the dynamics of RNA molecules with multiscale Gaussian network model
    Wang, Shihao
    Gong, Weikang
    Deng, Xueqing
    Liu, Yang
    Li, Chunhua
    CHEMICAL PHYSICS, 2020, 538