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Related Concept Videos

Molecular Models02:00

Molecular Models

Physical models representing molecular architectures of chemical compounds play essential roles in understanding chemistry. The use of molecular models makes it easier to visualize the structures and shapes of atoms and molecules.
Predicting Molecular Geometry02:27

Predicting Molecular Geometry

VSEPR Theory for Determination of Electron Pair Geometries
Molecular Orbital Theory II03:51

Molecular Orbital Theory II

Molecular Orbital Energy Diagrams
Molecular Geometry and Dipole Moments02:36

Molecular Geometry and Dipole Moments

The VSEPR theory can be used to determine the electron pair geometries and molecular structures as follows:
Molecular Comparison of Gases, Liquids, and Solids02:26

Molecular Comparison of Gases, Liquids, and Solids

Particles in a solid are tightly packed together (fixed shape) and often arranged in a regular pattern; in a liquid, they are close together with no regular arrangement (no fixed shape); in a gas, they are far apart with no regular arrangement (no fixed shape). Particles in a solid vibrate about fixed positions (cannot flow) and do not generally move in relation to one another; in a liquid, they move past each other (can flow) but remain in essentially constant contact; in a gas, they move...
Applications of Molecular Taxonomy01:20

Applications of Molecular Taxonomy

Molecular taxonomy has revolutionized the understanding and classification of bacteria, providing precise insights into their diversity, evolutionary relationships, and ecological roles. By utilizing molecular techniques such as DNA sequencing and fingerprinting, researchers have made significant strides in various fields related to bacterial studies.Resolving Taxonomic AmbiguitiesMolecular taxonomy has been instrumental in distinguishing closely related bacterial species initially thought to...

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Related Experiment Video

Updated: May 9, 2026

Computation of Atmospheric Concentrations of Molecular Clusters from ab initio Thermochemistry
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Published on: April 8, 2020

The emerging role of cloud computing in molecular modelling.

Jean-Paul Ebejer1, Simone Fulle, Garrett M Morris

  • 1InhibOx Ltd., Oxford Centre for Innovation, New Road, Oxford OX1 1BY, UK.

Journal of Molecular Graphics & Modelling
|July 10, 2013
PubMed
Summary

Cloud computing offers powerful on-demand computing for data-intensive applications like molecular modeling. While still developing, its potential for innovation and cost-effectiveness is significant.

Keywords:
CheminformaticsCloud computingComputer aided-drug designDockingMolecular modellingVirtual screening

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Area of Science:

  • Computational Science
  • Biochemistry
  • Computer Science

Background:

  • Cloud computing is increasingly vital for large-scale, data-intensive applications.
  • Its features and relationship to other distributed systems are key.
  • Understanding its strengths and weaknesses is crucial for adoption.

Purpose of the Study:

  • To review the current use of cloud computing in molecular modeling.
  • To assess the availability of user-friendly interfaces for molecular modeling applications on the cloud.
  • To demonstrate the potential of cloud computing in molecular modeling through case studies.

Main Methods:

  • Literature review of cloud computing applications in molecular modeling.
  • Analysis of existing front-end tools for molecular modeling software.
  • Presentation of case studies showcasing cloud computing's utility.

Main Results:

  • Cloud computing adoption for molecular modeling is nascent but promising.
  • Several case studies illustrate the potential benefits and applications.
  • Costs are decreasing, and application availability is increasing.

Conclusions:

  • Cloud computing offers significant on-demand computational power for molecular modeling.
  • It has the potential to drive innovation in computational approaches.
  • Expect rapid growth as technology matures and becomes more accessible.