Related papers: Sampling molecular conformations and dynamics in a…
Computational chemistry allows researchers to experiment in sillico: by running a computer simulations of a biological or chemical processes of interest. Molecular dynamics with molecular mechanics model of interactions simulates N-body…
Virtual reality (VR) is not a new technology but has been in development for decades, driven by advances in computer technology. Currently, VR technology is increasingly being used in applications to enable immersive, yet controlled…
In this paper, I will attempt to establish a framework for representation in virtual worlds that may allow for input data from many different scales and virtual physics to be merged. For example, a typical virtual environment must…
In the past few decades, the life sciences have experienced an unprecedented accumulation of data, ranging from genomic sequences and proteomic profiles to heavy-content imaging, clinical assays, and commercial biological products for…
The impossibility of experiencing the molecular world with our senses hampers teaching and understanding chemistry because very abstract concepts (such as atoms, chemical bonds, molecular structure, reactivity) are required for this…
Virtual reality (VR) offers immersive visualization and intuitive interaction. We leverage VR to enable any biomedical professional to deploy a deep learning (DL) model for image classification. While DL models can be powerful tools for…
In an era marked by renewed interest in lunar exploration and the prospect of establishing a sustainable human presence on the Moon, innovative approaches supporting mission preparation and astronaut training are imperative. To this end,…
Virtual screening can accelerate drug discovery by identifying promising candidates for experimental evaluation. Machine learning is a powerful method for screening, as it can learn complex structure-property relationships from experimental…
Virtual reality (VR) enables data visualization in an immersive and engaging manner, and it can be used for creating ways to explore scientific data. Here, we use VR for visualization of 3D histology data, creating a novel interface for…
The last two decades have seen the emergence and steady development of tangible user interfaces. While most of these interfaces are applied for input - with output still on traditional computer screens - the goal of programmable matter and…
A framework for virtual reality of engineering objects has been developed. This framework may simulate different equipment related to virtual reality. Framework supports 6D dynamics, ordinary differential equations, finite formulas, vector…
We present Playable Environments - a new representation for interactive video generation and manipulation in space and time. With a single image at inference time, our novel framework allows the user to move objects in 3D while generating a…
This paper presents the design and implementation of a modular multi-document interface (MDI) framework for scientific visualization and simulation in the Java Virtual Machine (JVM) ecosystem. The framework emphasizes architectural…
The Collective Variables Dashboard is a software tool for real-time, seamless exploration of molecular structures and trajectories in a customizable space of collective variables. The Dashboard arises from the integration of the Collective…
Interdisciplinary collaboration is essential for the advance of research. As domain subjects become more and more specialized, researchers need to cross disciplines for insights from peers in other areas to have a broader and deeper…
Understanding kinetics and thermodynamics profile of biomolecules is necessary to understand their functional roles which has a major impact in mechanism driven drug discovery. Molecular dynamics simulation has been routinely used to…
Only a small fraction of the data generated in state-of-the-art all-atom multi-microsecond molecular dynamics (MD) simulations is typically analyzed. With femtosecond integration steps, microsecond simulations generate billions of time…
While shared autonomy offers significant potential for assistive robotics, key questions remain about how to effectively map 2D control inputs to 6D robot motions. An intuitive framework should allow users to input commands effortlessly,…
The imminent impact of immersive technologies in society urges for active research in real-time and interactive physics simulation for virtual worlds to be realistic. In this context, realistic means to be compliant to the laws of physics.…
Molecular dynamics is based on solving Newton's equations for many-particle systems that evolve along complex, highly fluctuating trajectories. The orbital instability and short-time complexity of Newtonian orbits is in sharp contrast to…