25 items found

Tags: Computational Chemistry

Filter Results
  • dataset

    file

    about files
  • dataset

    ZENO1

    I'll do this after I wake-up, not meaning that I'm not awake, only that I shouldn't be. Clearly.
  • dataset

    dedup_wf_001--f67f327051279b9cfa0c567880986120

    Open Science logo (.tif) Builds on Open Source logo by David Gerard (http://commons.wikimedia.org/wiki/User:David_Gerard) from...
  • dataset

    file

    about files
  • dataset

    Open Science logo

    Open Science logo Builds on Open Source logo by David Gerard (http://commons.wikimedia.org/wiki/User:David_Gerard) from...
  • dataset

    Open Science Peer Review Oath

    The oath is a simple checklist to use when reviewing or considering a review request. We recommend that reviewers add a link to this oath at the top of each review as they...
  • dataset

    ZENO1

    zeno: Before you get the whole truth, you have to get the half truth. But, if you chase that poppycock down the rabbit hole, you'll find you can't get any truth. The model: Open...
  • dataset

    r37980778c78--b43510aa3c5862acdeff73db693a63a3

    Four week course at the University of Bath designed to introduce students to molecular dynamics simulations and data analysis using jupyter notebooks. This resource contains...
  • dataset

    ZENO1

    I promise to provide an adequate description for this after I wake-up, not meaning that I'm not awake, only that I shouldn't be. Clearly.
  • dataset

    dedup_wf_001--d6f84ef8716fe371b40e508c63e814d0

    Open Science logo (.png) Builds on Open Source logo by David Gerard (http://commons.wikimedia.org/wiki/User:David_Gerard) from...
  • publication

    dedup_wf_001--1271d79cf476c790b2339f73ee3679a0

    Why do we tend to forget users when we develop scientific software? Can we learn from the experiences of startup companies, open source software projects, and how research is...
  • publication

    IBiSA_Tools: A Computational Toolkit for Ion-Binding State Analysis in Molecu...

    : Ion conduction mechanisms of ion channels are a long-standing conundrum. Although the molecular dynamics (MD) method has been extensively used to simulate ion conduction...
  • publication

    ZENO1

    zeno: Before you get the whole truth, you have to get the half truth. But, if you chase that poppycock down the rabbit hole, you'll find you can't get any truth. The model: Open...
  • publication

    ZENO1

    I'll do this after I wake-up, not meaning that I'm not awake, only that I shouldn't be. Clearly.
  • publication

    Ten simple rules for developing a short bioinformatics training course.

    This is an open-access article under the Creative Commonset.-- et al.
  • publication

    Connecting Through Consilience: Ecology, Society, Culture and Technology

    Abstract Amongst linguistic, cultural and geographic diversity, humanity is characterised by inquisitiveness, communication and a deep desire to connect with each other. Despite...
  • publication

    Building Portable Analytical Environments to improve sustainability of comput...

    In many scientific studies, researchers use software tools to execute algorithms and analyze data. However, these tools are only executable within a computational environment...
  • publication

    Industrial disaster and accident(causes and history)

    SHORT DESCRIPTION OF ARTICLE: My article contains information of disasters and accidents that occur in industry because of several reasons and causes.I have also mentioned some...
  • publication

    Ten simple rules on how to create open access and reproducible molecular simu...

    Ten simple rules on how to create open access and reproducible molecular simulations of biological systems
  • publication

    dedup_wf_001--0a19936b2adc40a82b8475cc225e2849

    zeno: Before you get the whole truth, you have to get the half truth. But, if you chase that poppycock down the rabbit hole, you'll find you can't get any truth. The model: Open...