20:58Accelerating sampling in GROMACS with the Accelerated Weight Histogram method
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A 21-minute video from BioExcel CoE: “Accelerating sampling in GROMACS with the Accelerated Weight Histogram method”.
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20:58
44:19Alchemical free energy calculations using pmx
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A 44-minute video from BioExcel CoE: “Alchemical free energy calculations using pmx”.
15:40Alchemy for protein protein binding
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A 16-minute video from BioExcel CoE: “Alchemy for protein protein binding”.
29:13Application of molecular dynamics simulations in the field of drug discovery
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A 29-minute video from BioExcel CoE: “Application of molecular dynamics simulations in the field of drug discovery”.
33:23Applications of alchemical free energy calculations
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A 33-minute video from BioExcel CoE: “Applications of alchemical free energy calculations”.
1:12:50Basics of Molecular Dynamics
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A 73-minute video from BioExcel CoE: “Basics of Molecular Dynamics”.
1:07:48Basics of docking and introduction to HADDOCK
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A 68-minute video from BioExcel CoE: “Basics of docking and introduction to HADDOCK”.
28:06Basis of molecular dynamics simulations - Part 2
A 28-minute video from BioExcel CoE: “Basis of molecular dynamics simulations - Part 2”.
30:44Basis of molecular dynamics simulations - Part I
Intro
A 31-minute video from BioExcel CoE: “Basis of molecular dynamics simulations - Part I”.
23:54Basis of molecular dynamics simulations - Part I
A 24-minute video from BioExcel CoE: “Basis of molecular dynamics simulations - Part I”.
34:29Basis of molecular dynamics simulations - Part II
A 34-minute video from BioExcel CoE: “Basis of molecular dynamics simulations - Part II”.
18:14Bending torsional elasticity and energetics of the plus end microtubule tip default
A 18-minute video from BioExcel CoE: “Bending torsional elasticity and energetics of the plus end microtubule tip default”.
22:48Beyond in silico simulations: a case study on acetylcholinesterase inhibitors
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A 23-minute video from BioExcel CoE: “Beyond in silico simulations: a case study on acetylcholinesterase inhibitors”.
33:30BioExcel Building Blocks - Part 2
A 34-minute video from BioExcel CoE: “BioExcel Building Blocks - Part 2”.
41:25BioExcel Building Blocks - Part I
A 41-minute video from BioExcel CoE: “BioExcel Building Blocks - Part I”.
59:42BioExcel Webinar #10: Assessing structure quality in the PDB archive
A 60-minute video from BioExcel CoE: “BioExcel Webinar #10: Assessing structure quality in the PDB archive”.
1:01:20BioExcel Webinar #11: Robust solutions for cryoEM fitting and visualisation of interaction space
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A 61-minute video from BioExcel CoE: “BioExcel Webinar #11: Robust solutions for cryoEM fitting and visualisation of interaction space”.
53:13BioExcel Webinar #14: Introduction to the Common Workflow Language (CWL) Project
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A 53-minute video from BioExcel CoE: “BioExcel Webinar #14: Introduction to the Common Workflow Language (CWL) Project”.
1:02:27BioExcel Webinar #15: BioExcel and OpenPHACTS: Building pharmacological workflow blocks
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A 62-minute video from BioExcel CoE: “BioExcel Webinar #15: BioExcel and OpenPHACTS: Building pharmacological workflow blocks”.
55:39BioExcel Webinar #17: MDStudio, microservice based molecular dynamics workflows
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A 56-minute video from BioExcel CoE: “BioExcel Webinar #17: MDStudio, microservice based molecular dynamics workflows”.
1:10:03BioExcel Webinar #18: Multiple timescales in atomistic simulations
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A 70-minute video from BioExcel CoE: “BioExcel Webinar #18: Multiple timescales in atomistic simulations”.
58:46BioExcel Webinar #19: Hybrid Molecular Mechanics/Coarse-Grained approaches
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A 59-minute video from BioExcel CoE: “BioExcel Webinar #19: Hybrid Molecular Mechanics/Coarse-Grained approaches”.
1:00:48BioExcel Webinar #20: Adaptive resolution methods in soft matter simulations
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A 61-minute video from BioExcel CoE: “BioExcel Webinar #20: Adaptive resolution methods in soft matter simulations”.
1:00:11BioExcel Webinar #21: CWLEXEC: A new open source tool to run CWL workflows on LSF
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A 60-minute video from BioExcel CoE: “BioExcel Webinar #21: CWLEXEC: A new open source tool to run CWL workflows on LSF”.
1:03:27BioExcel Webinar #22: GROMACS 2018 – overview of the new features and capabilities
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A 63-minute video from BioExcel CoE: “BioExcel Webinar #22: GROMACS 2018 – overview of the new features and capabilities”.
1:19:47BioExcel Webinar #24: Perspective on the Martini Force Field
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A 80-minute video from BioExcel CoE: “BioExcel Webinar #24: Perspective on the Martini Force Field”.
1:08:10BioExcel Webinar #26: High Confidence Protein−Ligand Complex Modeling
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A 68-minute video from BioExcel CoE: “BioExcel Webinar #26: High Confidence Protein−Ligand Complex Modeling”.
1:00:39BioExcel Webinar #27: Furthering our understanding of Antibody Structure space: the AbVance project
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A 61-minute video from BioExcel CoE: “BioExcel Webinar #27: Furthering our understanding of Antibody Structure space: the AbVance project”.
1:05:05BioExcel Webinar #28: BioSimSpace – filling the gaps between molecular simulation codes
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A 65-minute video from BioExcel CoE: “BioExcel Webinar #28: BioSimSpace – filling the gaps between molecular simulation codes”.
58:23BioExcel Webinar #29: Molecular simulation control and extension with gmxapi for GROMACS
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A 58-minute video from BioExcel CoE: “BioExcel Webinar #29: Molecular simulation control and extension with gmxapi for GROMACS”.
46:31BioExcel Webinar #30: Immersive visual exploration of biomolecular systems in virtual reality
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A 47-minute video from BioExcel CoE: “BioExcel Webinar #30: Immersive visual exploration of biomolecular systems in virtual reality”.
47:41BioExcel Webinar #31:Open Force Field Initiative: The SMIRNOFF format
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A 48-minute video from BioExcel CoE: “BioExcel Webinar #31:Open Force Field Initiative: The SMIRNOFF format”.
1:04:03BioExcel Webinar #33: COMPSs: a high level framework for the development of parallel applications
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A 64-minute video from BioExcel CoE: “BioExcel Webinar #33: COMPSs: a high level framework for the development of parallel applications”.
51:47BioExcel Webinar #34: MDBenchmark: a tedious task – made straightforward
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A 52-minute video from BioExcel CoE: “BioExcel Webinar #34: MDBenchmark: a tedious task – made straightforward”.
1:00:06BioExcel Webinar #35: GROMACS 2019 – overview of the new features and capabilities
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A 60-minute video from BioExcel CoE: “BioExcel Webinar #35: GROMACS 2019 – overview of the new features and capabilities”.
1:21:39BioExcel Webinar #36: Prediction of protein-protein interactions in CAPRI
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A 82-minute video from BioExcel CoE: “BioExcel Webinar #36: Prediction of protein-protein interactions in CAPRI”.