FabSim: Facilitating computational research through automation on large-scale and distributed e-infrastructures-Reference-Cited by-同舟云学术

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FabSim: Facilitating computational research through automation on large-scale and distributed e-infrastructures

Published:2016-10 Issue: Volume:207 Page:375-385
ISSN:0010-4655
Container-title:Computer Physics Communications
language:en
Short-container-title:Computer Physics Communications

Author:

Groen Derek^ORCID,Bhati Agastya P.,Suter James,Hetherington James,Zasada Stefan J.,Coveney Peter V.

Funder

Qatar National Research Fund

INLAKS Foundation

UCL Overseas Research Studentship Award

EPSRC

UK Consortium on Mesoscopic Engineering Sciences

Publisher

Elsevier BV

Subject

General Physics and Astronomy,Hardware and Architecture

Reference55 articles.

1. Survey of Multiscale and Multiphysics Applications and Communities

2. Computing Clinically Relevant Binding Free Energies of HIV-1 Protease Inhibitors

3. Multiscale modelling and simulation: a position paper

4. Performance of distributed multiscale simulations

5. Globus Toolkit Version 4: Software for Service-Oriented Systems

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1. On the Deep Active-Subspace Method;SIAM/ASA Journal on Uncertainty Quantification;2023-03-31

2. FabSim3: An automation toolkit for verified simulations using high performance computing;Computer Physics Communications;2023-02

3. Free energy perturbation calculations of tetrahydroquinolines complexed to the first bromodomain of BRD4;Molecular Physics;2022-10-12

4. Large Scale Study of Ligand–Protein Relative Binding Free Energy Calculations: Actionable Predictions from Statistically Robust Protocols;Journal of Chemical Theory and Computation;2022-03-16

5. Automated Variance-Based Sensitivity Analysis of a Heterogeneous Atomistic-Continuum System;Computational Science – ICCS 2022;2022

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