• case-insensitive prefix search: default
  e.g., sig matches "SIGIR" as well as "signal"
• exact word search: append dollar sign ($) to word
  e.g., graph$ matches "graph", but not "graphics"
• boolean and: separate words by space
  e.g., codd model
• boolean or: connect words by pipe symbol (|)
  e.g., graph|network

Update May 7, 2017: Please note that we had to disable the phrase search operator (.) and the boolean not operator (-) due to technical problems. For the time being, phrase search queries will yield regular prefix search result, and search terms preceded by a minus will be interpreted as regular (positive) search terms.

found 19 matches

• 2020
• 
  Mahzad Khoshlessan, Ioannis Paraskevakos, Geoffrey C. Fox, Shantenu Jha, Oliver Beckstein:
  Parallel performance of molecular dynamics trajectory analysis. Concurr. Comput. Pract. Exp. 32(19) (2020)
• 
  Yusuke Ootani, Aya Satoh, Yu Harabuchi, Tetsuya Taketsugu:
  Trajectory on-the-fly molecular dynamics approach to tunneling splitting in the electronic excited state: A case of tropolone. J. Comput. Chem. 41(16): 1549-1556 (2020)
• 
  Linfeng Ye, Chao Xu, Feng Long Gu, Chaoyuan Zhu:
  Functional and Basis Set Dependence for Time-Dependent Density Functional Theory Trajectory Surface Hopping Molecular Dynamics: Cis-Azobenzene Photoisomerization. J. Comput. Chem. 41(7): 635-645 (2020)
• 2019
• 
  Mahzad Khoshlessan, Ioannis Paraskevakos, Geoffrey C. Fox, Shantenu Jha, Oliver Beckstein:
  Parallel Performance of Molecular Dynamics Trajectory Analysis. CoRR abs/1907.00097 (2019)
• 2018
• 
  Mauricio Carrillo-Tripp, Leonardo Alvarez-Rivera, Omar Israel Lara-Ramírez, Francisco Javier Becerra-Toledo, Adan Vega-Ramírez, Emmanuel Quijas-Valades, Eduardo González-Zavala, Julio Cesar González-Vázquez, Javier García-Vieyra, Nelly Beatriz Santoyo-Rivera, Sergio Víctor Chapa Vergara, Amilcar Meneses Viveros:
  HTMoL: full-stack solution for remote access, visualization, and analysis of molecular dynamics trajectory data. J. Comput. Aided Mol. Des. 32(8): 869-876 (2018)
• 
  Daniel R. Roe, Thomas E. Cheatham III:
  Parallelization of CPPTRAJ enables large scale analysis of molecular dynamics trajectory data. J. Comput. Chem. 39(25): 2110-2117 (2018)
• 2017
• 
  Mauricio Carrillo-Tripp, Leonardo Alvarez-Rivera, Omar Israel Lara-Ramírez, Francisco Javier Becerra-Toledo, Adan Vega-Ramírez, Emmanuel Quijas-Valades, Eduardo González-Zavala, Julio Cesar González-Vázquez, Javier García-Vieyra, Nelly Beatriz Santoyo-Rivera, Amilcar Meneses Viveros, Sergio Víctor Chapa Vergara:
  HTMoL: full-stack solution for remote access, visualization, and analysis of Molecular Dynamics trajectory data. CoRR abs/1711.08078 (2017)
• 2014
• 
  Samuel Schlachter, Stephen Herbein, Shuching Ou, Jeremy S. Logan, Sandeep Patel, Michela Taufer:
  Pursuing Coordinated Trajectory Progression and Efficient Resource Utilization of GPU-Enabled Molecular Dynamics Simulations. IEEE Des. Test 31(1): 40-50 (2014)
• 
  Lei Wang, James W. Mazzuca, Sophya Garashchuk, Jacek Jakowski:
  The hybrid Quantum Trajectory/Electronic Structure DFTB-based approach to Molecular Dynamics. XSEDE 2014: 24:1-24:8
• 2013
• 
  Alexander V. Popov, Yury N. Vorobjev, Dmitry O. Zharkov:
  MDTRA: A molecular dynamics trajectory analyzer with a graphical user interface. J. Comput. Chem. 34(4): 319-325 (2013)
• 2012
• 
  Patrick Marais, Julian Kenwood, Keegan Carruthers Smith, Michelle Kuttel, James E. Gain:
  Efficient compression of molecular dynamics trajectory files. J. Comput. Chem. 33(27): 2131-2141 (2012)
• 
  Yi-Ming Cheng, Srinivasa Murthy Gopal, Sean M. Law, Michael Feig:
  Molecular Dynamics Trajectory Compression with a Coarse-Grained Model. IEEE ACM Trans. Comput. Biol. Bioinform. 9(2): 476-486 (2012)
• 2011
• 
  Ioannis G. Tsoulos, Athanassios Stavrakoudis:
  Eucb: A C++ program for molecular dynamics trajectory analysis. Comput. Phys. Commun. 182(3): 834-841 (2011)
• 
  Jinzen Ikebe, Koji Umezawa, Narutoshi Kamiya, Takanori Sugihara, Yasushige Yonezawa, Yu Takano, Haruki Nakamura, Junichi Higo:
  Theory for trivial trajectory parallelization of multicanonical molecular dynamics and application to a polypeptide in water. J. Comput. Chem. 32(7): 1286-1297 (2011)
• 2008
• 
  Ales Krenek, Martin Petrek, Jan Kmunícek, Jiri Filipovic, Zdenek Sustr, Frantisek Dvorák, Jirí Sitera, Jiri Wiesner, Ludek Matyska:
  Multiple Ligand Trajectory Docking Study - Semiautomatic Analysis of Molecular Dynamics Simulations using EGEE gLite Services. PDP 2008: 447-454
• 2006
• 
  Yan Li:
  Bayesian Model Based Clustering Analysis: Application to a Molecular Dynamics Trajectory of the HIV-1 Integrase Catalytic Core. J. Chem. Inf. Model. 46(4): 1742-1750 (2006)
• 2000
• 
  Jacques Gabarro-Arpa, Roger Revilla:
  Clustering of a Molecular Dynamics Trajectory with a Hamming Distance. Comput. Chem. 24(6): 693-698 (2000)
• 1999
• 
  Michael Feig, Matin Abdullah, S. Lennart Johnsson, B. Montgomery Pettitt:
  Large scale distributed data repository: design of a molecular dynamics trajectory database. Future Gener. Comput. Syst. 16(1): 101-110 (1999)
• 
  Ying-Chieh Sun, Shu-Fen Yang, I-Lung Hwang, Tzu-Hsien Wu:
  A 500-ps molecular dynamics simulation trajectory of cardiotoxin II from Taiwan cobra venom in solution: Correlation with NMR and X-ray crystallography data. J. Comput. Chem. 20(5): 546-562 (1999)