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Commercialisation of VR for biomolecular design

Commercialisation of VR for biomolecular design
用于生物分子设计的 VR 商业化
批准号:
BB/T017066/1
负责人:
Adrian Mulholland
金额:
$24.69万
依托单位:
依托单位国家:
英国
项目类别:
Research Grant
财政年份:
2020
资助国家:
英国
项目状态:
未结题
起止时间:
2020 至 --

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中文摘要
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英文摘要
A market opportunity exists to build upon the outputs of successful BBSRC-funded research, which has developed tools for interactive molecular simulation, visualisation, manipulation and building in virtual reality (VR). This technology has the opportunity to transform commercially important areas such as structure-based drug design, molecular synthetic biology and protein engineering for practical applications. We are seeking 18 months of funding to support the initial stages of commercialisation activities to construct a spin-out company that sells a set of ready-to-market technologies that allow scientists within the biomolecular industry to transform their research pipelines. Our software, Narupa, is a suite of VR-enabled software packages for molecular modelling and design. Narupa allows scientists to step into the molecular world to simulate, manipulate and build biomolecular systems. Our core software offering, Narupa iMD-VR, uniquely enables scientists to not only to view molecular systems but to also interact with running simulations and maniplate structures and interactions in real time. The simulations are dynamic, physically rigorous, flexible and fast, and can easily accommodate new molecular systems. It is multiuser, allowing teams to work together, proving new ways to collaborate (including virtually) on molecular design and engineering problems. We have demonstrated the effectiveness of the approach in user tests for molecular modelling tasks; it outperforms current tools.These software tools have the potential to enable industrial biomolecular research to accelerate workflows and cut costs in ways that could not be envisaged even five years ago. We intend to utilise a unique combination of cloud computing, real-time research-grade simulation engines, and virtual reality (VR) to disrupt research across several areas, including synthetic chemistry, biochemistry, catalysis, drug design, and materials research. Narupa also provides a virtual meeting place for scientists to simultaneously inhabit the same simulation and share insights and collaborate in a way never possible before, and facilitate communication between experts and non-specialists. The power of our tools and approach has been recognised by companies such as BP, Hyundai and Oracle, who have invested in research projects with us. The opportunity to couple new immersive modes of computer-human interaction with scalable computing resources offers a short window for UK companies to emerge as global leaders in established fields that are otherwise difficult to disrupt. The bio-sector's R&D activities are significant components of UK economic output and are critical to ensuring the UK's standing in the global knowledge, research, and manufacturing economy. We estimate that there is a potential 8x ROI in R&D processes by the adoption of such tools, allowing scientists to rapidly test ideas and design hypotheses.Funding from BBSRC will allow us to build on current successful industrial-academic contracts and to develop a commercial entity. The initial stages focus on outreach, comms and visiting industry partners for application scoping and demonstrating initial VR installations and business-specific uses. We will take a three-strand approach to achieve commercial success: 1) Offer fully supported VR installations for customers intending to build labs (we already have two commercial partners and over two dozen academic partner universities).2) Dedicated consultancy for using VR for, accelerated dynamics simulations, visualisation and scientific applications.3) Sales of cloud credits to link various existing software packages as well as a multi-user VR teleconference allowing remote scientific collaboration.By the conclusion of the funding period, we will have constructed the framework for a sustainable business, secured venture capital funding in order to scale up this company and will have built a customer base.
期刊论文(10)
专著(0)
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会议论文
DOI: 10.1109/mcse.2020.3024155
发表时间: 2020-11
期刊: Computing in science & engineering
影响因子: 2.1
作者: [Amaro RE, Mulholland AJ]
通讯作者: Mulholland AJ
Mechanism of Inhibition of SARS-CoV-2 Mpro by N3 Peptidyl Michael Acceptor Explained by QM/MM Simulations and Design of New Derivatives with Tunable Chemical Reactivity
通过 QM/MM 模拟和具有可调化学反应性的新型衍生物的设计解释 N3 肽基迈克尔受体抑制 SARS-CoV-2 Mpro 的机制
DOI: 10.26434/chemrxiv.12941819.v1
发表时间: 2020
期刊:
影响因子: --
作者: [Arafet K]
通讯作者: Arafet K
DOI: 10.1021/acs.jctc.1c00547
发表时间: 2021-10-12
期刊: Journal of chemical theory and computation
影响因子: 5.5
作者: [Ansell TB, Curran L, Horrell MR, Pipatpolkai T, Letham SC, Song W, Siebold C, Stansfeld PJ, Sansom MSP, Corey RA]
通讯作者: Corey RA
DOI: 10.1038/s41598-021-97368-3
发表时间: 2021-09-21
期刊: Scientific reports
影响因子: 4.6
作者: [Ashraf S, Ranaghan KE, Woods CJ, Mulholland AJ, Ul-Haq Z]
通讯作者: Ul-Haq Z
Predictive multiscale free energy simulations of hybrid transition metal catalysts
  • 批准号:
    EP/W013738/1
  • 项目类别:
    Research Grant
  • 资助金额:
    $83.71万
  • 财政年份:
    2022
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    Adrian Mulholland
  • 依托单位:
BEORHN: Bacterial Enzymatic Oxidation of Reactive Hydroxylamine in Nitrification via Combined Structural Biology and Molecular Simulation
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    BB/V016768/1
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    Research Grant
  • 资助金额:
    $23.11万
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    2022
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    Adrian Mulholland
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CCP-BioSim: Biomolecular Simulation at the Life Sciences Interface
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    EP/M022609/1
  • 项目类别:
    Research Grant
  • 资助金额:
    $30.03万
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    2015
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Predicting drug-target binding kinetics through multiscale simulations
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    EP/M015378/1
  • 项目类别:
    Research Grant
  • 资助金额:
    $28.72万
  • 财政年份:
    2015
  • 负责人:
    Adrian Mulholland
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国内基金
海外基金
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  • 资助金额:
    --
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    2026
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基于VR虚拟现实技术的元宇宙科普体验空间软件开发
  • 批准号:
  • 项目类别:
    省市级项目
  • 资助金额:
    --
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    2026
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AI驱动VR/AR 场景化护理数字疗法治疗社区及神经康复病房阿尔茨海默病患者的临床研究
  • 批准号:
    2026JJ81578
  • 项目类别:
    省市级项目
  • 资助金额:
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    2026
  • 负责人:
    周紫菊
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基于VR技术的足球裁判员模拟系统的设计与实现
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    省市级项目
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    2026
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