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Accelerate Free Energy Binding Drug Discovery Simulations

New JCIM publication from Dr. Zheng Zheng explains how QuantumBio’s MoveableType paired with docking, molecular dynamics or Monte Carlo is a drug discovery game-changer.

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Accurate - Secure - Simple
Molecular Simulations at Scale
 

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QuantumBio and GridMarkets have partnered to create a simple, scalable  cloud-based platform for running QuantumBio simulations at scale with unprecedented accuracy, speed, security and ease-of-use.   

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QuantumBio is a docker agnostic, easily integrated, and user-friendly molecular simulations solution that: 

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  • Utilizes two pair potentials (GARF and AMBER),

  • Provides endstate (single conformer) scoring and ensemble (multi-conformer) scoring,

  • Compensates for structural diversity/disorder, ambiguity, and crystal structure deficiencies using ensemble scoring,

  • Increases predictability and target:ligand generalizability,

  • Supports protocols from rigid-receptor, induced-fit-receptor, cross-docking, and dynamics.

 

The following videos describe how to a) setup and b) submit QuantumBio simulations to GridMarkets either from the MOE interface or from a command line interface.

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Setup
 


Submit
 

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Unlimited Scale

  • Choose machine counts and configs 

 

  • Run simulations in parallel

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  • GridMarkets' supplies the GPU and CPU machines you need - when you need them

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  • All licenses are included - no additional software required

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Easy to Use

  • Simple 3 step set-up

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  • Easily submit and manage submissions in seconds directly from your QuantumBio interface to thousands of high-performance, highly secure servers

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  • Results are automatically downloaded - no end-user management of machines, data or licenses required

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Budget-Friendly Pricing

  • No minimum or hidden costs

 

  • Two predictable all inclusive "pay by the ligand" price plans:

    • Endstate scoring:  $US 10*

    • Ensemble scoring: $US 75*

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*Early bird introductory price

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Securely Built

  • Built on the highly secure AWS and Oracle infrastructures

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  • Your data is encrypted end-to-end

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