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 Experiment Videos

MOL3D--a modular and interactive program for molecular modeling and conformational analysis: II. Extended modules.

D Pattou1, L H Bach, J P Kocher

  • 1Laboratoire de Résonance Magnétique et de Modélisation Moléculaire Université L. Pasteur, Strasbourg, France.

Journal of Molecular Graphics
|December 1, 1992
PubMed
Summary

The updated MOL3D molecular modeling software now features enhanced graphics and improved intermolecular calculation capabilities for rigid and flexible docking. New interfaces and databases streamline searches for structural templates and biological activity.

Related Concept Videos

You might also read

Related Articles

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

Sort by
Same author

Structure-based virtual screening of hypothetical inhibitors of the enzyme longiborneol synthase-a potential target to reduce Fusarium head blight disease.

Journal of molecular modeling·2016
Same author

A high-resolution 15,000(Rad) radiation hybrid panel for the domestic cat.

Cytogenetic and genome research·2012
Same author

[Functional dissociation between apelin receptor signaling and endocytosis: implications for the effects of apelin on arterial blood pressure].

Archives des maladies du coeur et des vaisseaux·2007
Same author

The Tabby cat locus maps to feline chromosome B1.

Animal genetics·2006
Same author

A proposed 3D structure for crotamine based on homology building, molecular simulations and circular dichroism.

Journal of molecular graphics & modelling·2002
Same author

Control of conformational equilibria in the human B2 bradykinin receptor. Modeling of nonpeptidic ligand action and comparison to the rhodopsin structure.

The Journal of biological chemistry·2001

Area of Science:

  • Computational chemistry
  • Molecular modeling
  • Drug discovery

Background:

  • Molecular modeling programs are essential tools in computational chemistry and drug discovery.
  • Existing software often lacks comprehensive features for intermolecular interactions and database searching.
  • The MOL3D program has been a foundational tool, requiring updates to meet current research demands.

Purpose of the Study:

  • To introduce the latest release of MOL3D, a molecular modeling program.
  • To highlight significant enhancements in graphic capabilities and intermolecular calculation modules.
  • To detail the integration of new interfaces and databases for expanded functionality.

Main Methods:

  • The MOL3D program was updated with enhanced graphic rendering.

Related Experiment Videos

  • An improved module for intermolecular calculations, supporting rigid and flexible docking, was implemented.
  • New interfaces were developed for integration with MM2, AMBER, MOPAC, and the Cambridge Crystallographic Database.
  • A graph manager and a samples database were added for efficient data retrieval.

    • Main Results:

    • The enhanced graphics provide improved visualization of molecular structures.
    • The new docking module enables more sophisticated analysis of intermolecular interactions.
    • Seamless integration with other major software and databases facilitates data exchange and analysis.
    • Efficient searching capabilities allow for complex queries based on structural, pharmacophoric, and biological activity data.

    Conclusions:

    • The new MOL3D release offers a more powerful and versatile platform for molecular modeling.
    • Enhanced visualization, advanced docking, and improved data management support various research applications.
    • The program's expanded capabilities are expected to benefit computational chemistry, structural biology, and drug discovery efforts.