Exploring rare events in proteins with adaptive molecular dynamics

被引：0
|
作者：
Clementi, Cecilia [1 ]
机构：
[1] Rice Univ, Houston, TX USA
来源：
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY | 2016年 / 251卷
关键词：
D O I：
暂无
中图分类号：
O6 [化学];
学科分类号：
0703 ;
摘要：
49
引用
收藏
页数：1
相关论文
共 50 条
  • [21] Rare Events Sampling Methods for Quantum and Classical Ab Initio Molecular Dynamics
    Iyengar, Srinivasan S.
    Schlegel, H. Bernhard
    Sumner, Isaiah
    Li, Junjie
    JOURNAL OF PHYSICAL CHEMISTRY A, 2024, : 5386 - 5397
  • [22] Simulating rare events in molecular dynamics simulations using reversible Markov models
    Wu, H.
    Paul, F.
    Wehmeyer, C.
    Mey, A. S. J. S.
    Rosta, E.
    Noe, F.
    EUROPEAN BIOPHYSICS JOURNAL WITH BIOPHYSICS LETTERS, 2015, 44 : S144 - S144
  • [23] Molecular dynamics of proteins
    Karplus, M
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 1998, 216 : U805 - U805
  • [24] SHADOWING, RARE EVENTS, AND RUBBER BANDS - A VARIATIONAL VERLET ALGORITHM FOR MOLECULAR-DYNAMICS
    GILLILAN, RE
    WILSON, KR
    JOURNAL OF CHEMICAL PHYSICS, 1992, 97 (03): : 1757 - 1772
  • [25] Action-derived molecular dynamics: A powerful tool for investigating rare events.
    Passerone, D
    Atkah, D
    Parrinello, M
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2001, 222 : U204 - U204
  • [26] Exploring the binding dynamics of BAR proteins
    Doron Kabaso
    Ekaterina Gongadze
    Jernej Jorgačevski
    Marko Kreft
    Ursula Van Rienen
    Robert Zorec
    Aleš Iglič
    Cellular & Molecular Biology Letters, 2011, 16 : 398 - 411
  • [27] Exploring the binding dynamics of BAR proteins
    Kabaso, Doron
    Gongadze, Ekaterina
    Jorgacevski, Jernej
    Kreft, Marko
    Van Rienen, Ursula
    Zorec, Robert
    Iglic, Ales
    CELLULAR & MOLECULAR BIOLOGY LETTERS, 2011, 16 (03) : 398 - 411
  • [28] Exploring ligand binding pathways on proteins using hypersound-accelerated molecular dynamics
    Mitsugu Araki
    Shigeyuki Matsumoto
    Gert-Jan Bekker
    Yuta Isaka
    Yukari Sagae
    Narutoshi Kamiya
    Yasushi Okuno
    Nature Communications, 12
  • [29] Exploring ligand binding pathways on proteins using hypersound-accelerated molecular dynamics
    Araki, Mitsugu
    Matsumoto, Shigeyuki
    Bekker, Gert-Jan
    Isaka, Yuta
    Sagae, Yukari
    Kamiya, Narutoshi
    Okuno, Yasushi
    NATURE COMMUNICATIONS, 2021, 12 (01)
  • [30] The importance of rare events in thin film deposition: a molecular dynamics study of tetrahedral amorphous carbon
    Marks, N. A.
    Cover, M. F.
    Kocer, C.
    MOLECULAR SIMULATION, 2006, 32 (15) : 1271 - 1277
12345