Molecular Rift: Virtual Reality for Drug Designers

Norrby, Magnus; Grebner, Christoph; Eriksson, Joakim; Boström, Jonas

doi:10.1021/acs.jcim.5b00544

Cited by 96 publications

(83 citation statements)

References 20 publications

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“…In a recently described system called the "Molecular Rift, " the immersive 3D visualization of molecules is combined with interaction with molecules based on gesture-recognition (Norrby et al, 2015). In this version, participants were immersed into protein-ligand complexes.…”

Section: Scientific and Data Visualizationmentioning

confidence: 99%

Enhancing Our Lives with Immersive Virtual Reality

2016

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SUMMARYVirtual reality (VR) started about 50 years ago in a form we would recognize today [stereo head-mounted display (HMD), head tracking, computer graphics generated images] -although the hardware was completely different. In the 1980s and 1990s, VR emerged again based on a different generation of hardware (e.g., CRT displays rather than vector refresh, electromagnetic tracking instead of mechanical). This reached the attention of the public, and VR was hailed by many engineers, scientists, celebrities, and business people as the beginning of a new era, when VR would soon change the world for the better. Then, VR disappeared from public view and was rumored to be "dead. " In the intervening 25 years a huge amount of research has nevertheless been carried out across a vast range of applications -from medicine to business, from psychotherapy to industry, from sports to travel. Scientists, engineers, and people working in industry carried on with their research and applications using and exploring different forms of VR, not knowing that actually the topic had already passed away.The purpose of this article is to survey a range of VR applications where there is some evidence for, or at least debate about, its utility, mainly based on publications in peer-reviewed journals. Of course not every type of application has been covered, nor every scientific paper (about 186,000 papers in Google Scholar): in particular, in this review we have not covered applications in psychological or medical rehabilitation. The objective is that the reader becomes aware of what has been accomplished in VR, where the evidence is weaker or stronger, and what can be done. We start in Section 1 with an outline of what VR is and the major conceptual framework used to understand what happens when people experience it -the concept of "presence. " In Section 2, we review some areas where VR has been used in science -mostly psychology and neuroscience, the area of scientific visualization, and some remarks about its use in education and surgical training. In Section 3, we discuss how VR has been used in sports and exercise. In Section 4, we survey applications in social psychology and related areas -how VR has been used to throw light on some social phenomena, and how it can be used to tackle experimentally areas that cannot be studied experimentally in real life. We conclude with how it has been used in the preservation of and access to cultural heritage. In Section 5, we present the domain of moral behavior, including an example of how it might be used to train professionals such as medical doctors when confronting serious dilemmas with patients. In Section 6, we consider how VR has been and might be used in various aspects of travel, collaboration, and industry. In Section 7, we consider mainly the use of VR in news presentation and also discuss different types of VR. In the concluding Section 8, we briefly consider new ideas that have recently emerged -an impossible task since during the short time we have written this page even newer idea...

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Section: Scientific and Data Visualizationmentioning

confidence: 99%

Enhancing Our Lives with Immersive Virtual Reality

2016

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“…In 2016, after the release of two developer kits Oculus Rift DK1 and DK2, the first consumer‐grade Oculus Rift CV1 (Oculus VR, LLC., Menlo Park, CA) became available for the general public. Some examples of virtual reality applications within health science and medical education include: an examination of digital pathology slides using an Oculus Rift DK2 (Farahani et al, ); virtual drug design using gesture‐recognition instead of standard input devices (Norrby et al, ); and a 3D virtual anatomy puzzle using Oculus Rift DK2 (Messier et al, ). The release of modern 3D virtual systems has paved the way for new approaches to medical imaging and education and have demonstrated success as beneficial supplements in anatomical education (Miller, ; Peterson and Mlynarczyk, ).…”

Section: Introductionmentioning

confidence: 99%

The effectiveness of virtual and augmented reality in health sciences and medical anatomy

Moro

Štromberga

Raikos

et al. 2017

Anatomical Sciences Ed

674

612

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Although cadavers constitute the gold standard for teaching anatomy to medical and health science students, there are substantial financial, ethical, and supervisory constraints on their use. In addition, although anatomy remains one of the fundamental areas of medical education, universities have decreased the hours allocated to teaching gross anatomy in favor of applied clinical work. The release of virtual (VR) and augmented reality (AR) devices allows learning to occur through hands-on immersive experiences. The aim of this research was to assess whether learning structural anatomy utilizing VR or AR is as effective as tablet-based (TB) applications, and whether these modes allowed enhanced student learning, engagement and performance. Participants (n = 59) were randomly allocated to one of the three learning modes: VR, AR, or TB and completed a lesson on skull anatomy, after which they completed an anatomical knowledge assessment. Student perceptions of each learning mode and any adverse effects experienced were recorded. No significant differences were found between mean assessment scores in VR, AR, or TB. During the lessons however, VR participants were more likely to exhibit adverse effects such as headaches (25% in VR P < 0.05), dizziness (40% in VR, P < 0.001), or blurred vision (35% in VR, P < 0.01). Both VR and AR are as valuable for teaching anatomy as tablet devices, but also promote intrinsic benefits such as increased learner immersion and engagement. These outcomes show great promise for the effective use of virtual and augmented reality as means to supplement lesson content in anatomical education. Anat Sci Educ 10: 549-559. © 2017 American Association of Anatomists.

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“…Due to our use of the Steam VR toolkit and the Unity3D engine, our visualization platform can run on multiple hardware platforms. Although we targeted the HTC Vive due to its superior support for human-computer interaction, the Oculus Rift is also a potential target for our platform as others have attempted to use this platform to target drug design 37 . However, we believe that our program is both more intuitive and scalable than these approaches due to the better human-computer interface offered by the Vive.…”

Section: Scalability For Collaboration and Educationmentioning

confidence: 99%

Molecular Interactions Using New Technology: A Virtual Reality Gaming Platform to Visualize and Manipulate Molecules

Zhang¹,

Fine²,

Sculley³

et al. 2019

Preprint

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<p>The representation of complex biomolecular structures and interactions is a difficult challenge across life sciences. Researchers and students use unintuitive 2D representations to gain an intuitive understanding of 3D space and molecular interactions. Since this is cumbersome for complex structures, such as protein-ligand interactions, several solutions have been proposed to help elucidate the 3D space. However, these representations are often static or do not fully leverage the interactivity that modern computing systems can provide. Our solution, Molecular Interaction using New Technology (MINT), is the first “gaming” platform to effectively represent and manipulate structures in 3D space using virtual reality while simultaneously scoring biomolecular interactions in real-time. Utilizing this combination of manipulation and real-time feedback, MINT provides scientists with an intuitive and effective method for drug discovery. We hope the combination of an intuitive interface with a powerful chemistry backend will expand molecular understanding and drug discovery for scientists and non-scientists.</p>

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Molecular Rift: Virtual Reality for Drug Designers

Cited by 96 publications

References 20 publications

Enhancing Our Lives with Immersive Virtual Reality

Enhancing Our Lives with Immersive Virtual Reality

The effectiveness of virtual and augmented reality in health sciences and medical anatomy

Molecular Interactions Using New Technology: A Virtual Reality Gaming Platform to Visualize and Manipulate Molecules

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