Loos, a Better Tool to Analyze Molecular Dynamics Simulations

被引:0
|
作者
Grossfield, Alan [1 ]
Romo, Tod D. [2 ]
机构
[1] Univ Rochester, Med Ctr, Dept Biochem & Biophys, Rochester, NY 14642 USA
[2] Univ Rochester, Med Ctr, CIRC, Rochester, NY 14642 USA
关键词
D O I
暂无
中图分类号
Q6 [生物物理学];
学科分类号
071011 ;
摘要
864-Pos
引用
收藏
页码:178A / 178A
页数:1
相关论文
共 50 条
  • [31] Molecular dynamics simulations
    Hansson, T
    Oostenbrink, C
    van Gunsteren, WF
    CURRENT OPINION IN STRUCTURAL BIOLOGY, 2002, 12 (02) : 190 - 196
  • [32] Molecular Dynamics Simulations
    Habasaki, Junko
    Leon, Carlos
    Ngai, K. L.
    DYNAMICS OF GLASSY, CRYSTALLINE AND LIQUID IONIC CONDUCTORS: EXPERIMENTS, THEORIES, SIMULATIONS, 2017, 132 : 355 - 414
  • [33] MOLECULAR-DYNAMICS SIMULATIONS OF MACROMOLECULES AS A TOOL IN UNDERSTANDING CRYSTAL-STRUCTURES
    WENDOLOSKI, JJ
    SALEMME, FR
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 1989, 197 : 26 - PHYS
  • [34] UMAP as a Dimensionality Reduction Tool for Molecular Dynamics Simulations of Biomacromolecules: A Comparison Study
    Trozzi, Francesco
    Wang, Xinlei
    Tao, Peng
    JOURNAL OF PHYSICAL CHEMISTRY B, 2021, 125 (19): : 5022 - 5034
  • [35] MembIT - A Tool to Calculate Solute Membrane Insertions and Deformations in Molecular Dynamics Simulations
    Suzano, Pedro M. S.
    Pires, Ines D. S.
    Silva, Tomas F. D.
    Oliveira, Nuno F. B.
    Reis, Pedro B. P. S.
    Machuqueiro, Miguel
    JOURNAL OF COMPUTATIONAL BIOPHYSICS AND CHEMISTRY, 2023, 22 (05): : 541 - 549
  • [36] SINAPs: A Software Tool for Analysis and Visualization of Interaction Networks of Molecular Dynamics Simulations
    Bedart, Corentin
    Renault, Nicolas
    Chavatte, Philippe
    Porcherie, Adeline
    Lachgar, Abderrahim
    Capron, Monique
    Farce, Amaury
    JOURNAL OF CHEMICAL INFORMATION AND MODELING, 2022, 62 (06) : 1425 - 1436
  • [37] MDcons: Intermolecular contact maps as a tool to analyze the interface of protein complexes from molecular dynamics trajectories
    Safwat Abdel-Azeim
    Edrisse Chermak
    Anna Vangone
    Romina Oliva
    Luigi Cavallo
    BMC Bioinformatics, 15
  • [38] MDcons: Intermolecular contact maps as a tool to analyze the interface of protein complexes from molecular dynamics trajectories
    Abdel-Azeim, Safwat
    Chermak, Edrisse
    Vangone, Anna
    Oliva, Romina
    Cavallo, Luigi
    BMC BIOINFORMATICS, 2014, 15
  • [39] RadicalPy: A Tool for Spin Dynamics Simulations
    Antill, Lewis M.
    Vatai, Emil
    JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2024, 20 (21) : 9488 - 9499
  • [40] LOOS: An Extensible Platform for the Structural Analysis of Simulations
    Romo, Tod D.
    Grossfield, Alan
    2009 ANNUAL INTERNATIONAL CONFERENCE OF THE IEEE ENGINEERING IN MEDICINE AND BIOLOGY SOCIETY, VOLS 1-20, 2009, : 2332 - 2335