Literature DB >> 25838463

do_x3dna: a tool to analyze structural fluctuations of dsDNA or dsRNA from molecular dynamics simulations.

Rajendra Kumar1, Helmut Grubmüller1.   

Abstract

The do_x3dna package has been developed to analyze the structural fluctuations of DNA or RNA during molecular dynamics simulations. It extends the capability of the 3DNA package to GROMACS MD trajectories and includes new methods to calculate the global-helical axis of DNA and bending fluctuations during simulations. The package also includes a Python module dnaMD to perform and visualize statistical analyses of complex data obtained from the trajectories.
© The Author 2015. Published by Oxford University Press. All rights reserved. For Permissions, please e-mail: journals.permissions@oup.com.

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Year:  2015        PMID: 25838463     DOI: 10.1093/bioinformatics/btv190

Source DB:  PubMed          Journal:  Bioinformatics        ISSN: 1367-4803            Impact factor:   6.937


  16 in total

1.  High-resolution EPR distance measurements on RNA and DNA with the non-covalent Ǵ spin label.

Authors:  Marcel Heinz; Nicole Erlenbach; Lukas S Stelzl; Grace Thierolf; Nilesh R Kamble; Snorri Th Sigurdsson; Thomas F Prisner; Gerhard Hummer
Journal:  Nucleic Acids Res       Date:  2020-01-24       Impact factor: 16.971

2.  MINT: software to identify motifs and short-range interactions in trajectories of nucleic acids.

Authors:  Anna Górska; Maciej Jasiński; Joanna Trylska
Journal:  Nucleic Acids Res       Date:  2015-05-29       Impact factor: 16.971

3.  CTCF binding modulates UV damage formation to promote mutation hot spots in melanoma.

Authors:  Smitha Sivapragasam; Bastian Stark; Amanda V Albrecht; Kaitlynne A Bohm; Peng Mao; Raymond G Emehiser; Steven A Roberts; Patrick J Hrdlicka; Gregory M K Poon; John J Wyrick
Journal:  EMBO J       Date:  2021-09-06       Impact factor: 14.012

4.  Twisting DNA by salt.

Authors:  Sergio Cruz-León; Willem Vanderlinden; Peter Müller; Tobias Forster; Georgina Staudt; Yi-Yun Lin; Jan Lipfert; Nadine Schwierz
Journal:  Nucleic Acids Res       Date:  2022-06-10       Impact factor: 19.160

5.  Dissecting Dynamic and Hydration Contributions to Sequence-Dependent DNA Minor Groove Recognition.

Authors:  Van L T Ha; Noa Erlitzki; Abdelbasset A Farahat; Arvind Kumar; David W Boykin; Gregory M K Poon
Journal:  Biophys J       Date:  2020-08-20       Impact factor: 4.033

6.  The molecular basis of selective DNA binding by the BRG1 AT-hook and bromodomain.

Authors:  Julio C Sanchez; Liyang Zhang; Stefania Evoli; Nicholas J Schnicker; Maria Nunez-Hernandez; Liping Yu; Jeff Wereszczynski; Miles A Pufall; Catherine A Musselman
Journal:  Biochim Biophys Acta Gene Regul Mech       Date:  2020-05-03       Impact factor: 4.490

7.  Phi29 Connector-DNA Interactions Govern DNA Crunching and Rotation, Supporting the Check-Valve Model.

Authors:  Rajendra Kumar; Helmut Grubmüller
Journal:  Biophys J       Date:  2016-01-19       Impact factor: 4.033

8.  RNArchitecture: a database and a classification system of RNA families, with a focus on structural information.

Authors:  Pietro Boccaletto; Marcin Magnus; Catarina Almeida; Adriana Zyla; Astha Astha; Radoslaw Pluta; Blazej Baginski; Elzbieta Jankowska; Stanislaw Dunin-Horkawicz; Tomasz K Wirecki; Michal J Boniecki; Filip Stefaniak; Janusz M Bujnicki
Journal:  Nucleic Acids Res       Date:  2018-01-04       Impact factor: 16.971

9.  Consecutive non-natural PZ nucleobase pairs in DNA impact helical structure as seen in 50 μs molecular dynamics simulations.

Authors:  Robert W Molt; Millie M Georgiadis; Nigel G J Richards
Journal:  Nucleic Acids Res       Date:  2017-04-20       Impact factor: 16.971

10.  BIGNASim: a NoSQL database structure and analysis portal for nucleic acids simulation data.

Authors:  Adam Hospital; Pau Andrio; Cesare Cugnasco; Laia Codo; Yolanda Becerra; Pablo D Dans; Federica Battistini; Jordi Torres; Ramón Goñi; Modesto Orozco; Josep Ll Gelpí
Journal:  Nucleic Acids Res       Date:  2015-11-26       Impact factor: 16.971

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