Jove
Visualize
Contact Us
JoVE
x logofacebook logolinkedin logoyoutube logo
ABOUT JoVE
OverviewLeadershipBlogJoVE Help Center
AUTHORS
Publishing ProcessEditorial BoardScope & PoliciesPeer ReviewFAQSubmit
LIBRARIANS
TestimonialsSubscriptionsAccessResourcesLibrary Advisory BoardFAQ
RESEARCH
JoVE JournalMethods CollectionsJoVE Encyclopedia of ExperimentsArchive
EDUCATION
JoVE CoreJoVE BusinessJoVE Science EducationJoVE Lab ManualFaculty Resource CenterFaculty Site
Terms & Conditions of Use
Privacy Policy
Policies

Related Concept Videos

GIS Software, Hardware, and Sources of GIS Data01:23

GIS Software, Hardware, and Sources of GIS Data

763
A Geographic Information System (GIS) combines specialized software and hardware to effectively manage, analyze, and present spatial and related data. GIS software includes critical functionalities such as a user interface for easy navigation, database management tools for handling spatial and attribute data, and data retrieval features for efficient access. Analytical tools transform raw data into insights, while display functions produce maps and reports in various formats for effective...
763
DNA Packaging00:58

DNA Packaging

112.2K
Overview
112.2K
Chromatin Packaging01:32

Chromatin Packaging

19.0K
Each human somatic cell contains 6 billion base pairs of DNA. Each base pair is 0.34 nm long, meaning each diploid cell contains a staggering 2 meters of DNA. This long DNA strand is packed inside a nucleus measuring only 10-20 microns in diameter with the help of specialized DNA-binding proteins called histones. Together they form a compact DNA-protein complex called chromatin. The chromatin is further compacted into higher-order structures. The highest level of compaction is achieved during...
19.0K
Chromatin Packaging02:21

Chromatin Packaging

21.8K
Each human somatic cell contains 6 billion base-pairs of DNA. Each base-pair is 0.34 nm long, which means that each diploid cell contains a staggering 2 meters of DNA. How is such a long DNA strand packed inside a nucleus measuring only 10 - 20 microns in diameter? 
The chromatin
In combination with specialized DNA binding protein called Histones, the DNA double helix forms a compact DNA: protein complex called chromatin. The chromatin itself is further compacted into higher-order...
21.8K
Chromatin Packaging02:21

Chromatin Packaging

9.6K
9.6K
Methods of Documentation I: Source-Oriented Records01:18

Methods of Documentation I: Source-Oriented Records

1.7K
Source-oriented records, or SOR, are medical record-keeping organized by the data source. The SOR system was first developed in the mid-1900s to organize the growing patient data in hospitals and other healthcare facilities.
In an SOR, each discipline involved in patient care maintains a separate medical record section. This record-keeping method enables easy tracking of patient progress and ensures healthcare staff have access to up-to-date information.
Key Attributes include the following:
1.7K

You might also read

Related Articles

Articles linked to this work by shared authors, journal, and citation graph.

Sort by
Same author

Resolving the trifecta of discrepancies regarding the phosphorus suboxide P<sub>4</sub>O.

Physical chemistry chemical physics : PCCP·2026
Same author

Concordant Mode Approach (CMA): Vibrational Analysis of New and Upgraded Intermolecular Benchmarks for Noncovalent Bonding.

The journal of physical chemistry. A·2026
Same author

Methods in PES-Learn: Direct-Fit Machine Learning of Born-Oppenheimer Potential Energy Surfaces.

Molecules (Basel, Switzerland)·2026
Same author

Toward the Observation of Dimagnesocene.

ACS omega·2026
Same author

Vibrational Signatures of Unrealized Phosphorus Suboxide Intermediates in White Phosphorus Oxidation Reactions.

The journal of physical chemistry. A·2025
Same author

Hydrogen Bond Benchmark: Focal-Point Analysis and Assessment of DFT Functionals.

Journal of computational chemistry·2025
Same journal

Multilevel Fragmentation and Boundary Corrections for Accurate Vibrational Spectra of Large Molecules.

Journal of chemical theory and computation·2026
Same journal

Special Topics: Developments of Theoretical and Computational Chemistry Methods in Asia.

Journal of chemical theory and computation·2026
Same journal

Predicting Excited-State Energies from Ground-State Descriptors in Thermally Fluctuating π-Conjugated Molecules.

Journal of chemical theory and computation·2026
Same journal

Many-Body Theory Predictions of Positron Binding Energies in Five-Membered Heterocycles Involving N, O, S, and NH Substituents.

Journal of chemical theory and computation·2026
Same journal

<i>opt</i>-DDAP: Optimizable Density-Derived Atomic Point Charges via Automatic Differentiation.

Journal of chemical theory and computation·2026
Same journal

A Force-Kernel Reformulation of the Extended-System Adaptive Biasing Force for Free-Energy Calculations.

Journal of chemical theory and computation·2026
See all related articles

Related Experiment Video

Updated: Jan 22, 2026

Isotopic Effect in Double Proton Transfer Process of Porphycene Investigated by Enhanced QM/MM Method
05:51

Isotopic Effect in Double Proton Transfer Process of Porphycene Investigated by Enhanced QM/MM Method

Published on: July 19, 2019

6.7K

Janus: An Extensible Open-Source Software Package for Adaptive QM/MM Methods.

Boyi Zhang1, Doaa Altarawy2,3, Taylor Barnes2

  • 1Center for Computational Quantum Chemistry , University of Georgia , Athens , Georgia 30602 , United States.

Journal of Chemical Theory and Computation
|July 17, 2019
PubMed
Summary
This summary is machine-generated.

Janus is a new open-source Python library that simplifies adaptive quantum mechanics/molecular mechanics (QM/MM) methods. It makes these powerful computational tools more accessible for studying complex chemical systems.

More Related Videos

Primer Extension Capture: Targeted Sequence Retrieval from Heavily Degraded DNA Sources
15:28

Primer Extension Capture: Targeted Sequence Retrieval from Heavily Degraded DNA Sources

Published on: September 3, 2009

20.8K
Imaging C. elegans Embryos using an Epifluorescent Microscope and Open Source Software
08:32

Imaging C. elegans Embryos using an Epifluorescent Microscope and Open Source Software

Published on: March 24, 2011

28.4K

Related Experiment Videos

Last Updated: Jan 22, 2026

Isotopic Effect in Double Proton Transfer Process of Porphycene Investigated by Enhanced QM/MM Method
05:51

Isotopic Effect in Double Proton Transfer Process of Porphycene Investigated by Enhanced QM/MM Method

Published on: July 19, 2019

6.7K
Primer Extension Capture: Targeted Sequence Retrieval from Heavily Degraded DNA Sources
15:28

Primer Extension Capture: Targeted Sequence Retrieval from Heavily Degraded DNA Sources

Published on: September 3, 2009

20.8K
Imaging C. elegans Embryos using an Epifluorescent Microscope and Open Source Software
08:32

Imaging C. elegans Embryos using an Epifluorescent Microscope and Open Source Software

Published on: March 24, 2011

28.4K

Area of Science:

  • Computational Chemistry
  • Molecular Modeling
  • Software Development

Background:

  • Adaptive quantum mechanics/molecular mechanics (QM/MM) methods enable the study of systems with dynamic or nonlocalized active centers.
  • Current software limitations hinder the adoption and application of these advanced QM/MM approaches.
  • There is a need for accessible and extensible software for adaptive QM/MM simulations.

Purpose of the Study:

  • To introduce Janus, a free and open-source Python library designed to overcome the limitations of existing adaptive QM/MM software.
  • To provide a modular and extensible platform for implementing and utilizing various adaptive QM/MM methods.
  • To facilitate broader adoption and application of adaptive QM/MM techniques in computational chemistry.

Main Methods:

  • Development of a modular and extensible Python library named Janus.
  • Implementation of existing adaptive QM/MM methods within the Janus framework.
  • Inclusion of a user-friendly input structure and a customizable Python API.
  • Interfacing Janus with established computational chemistry codes such as Psi4 and OpenMM.

Main Results:

  • Janus offers a free, open-source solution for adaptive QM/MM simulations.
  • The library features implementations of multiple adaptive QM/MM methods.
  • Janus provides a simplified user experience, reducing setup complexity.
  • Its modular design allows for straightforward integration with other molecular modeling software.

Conclusions:

  • Janus significantly enhances the accessibility and usability of adaptive QM/MM methods.
  • The software is poised to accelerate research by enabling easier application of advanced computational techniques.
  • Janus aims to foster a user-driven community for the development of novel adaptive QM/MM approaches.