www.freechemical.info

338 Database entries



MacroModel


Ratings:    0  votes
Please vote:   

OS: Linux, Windows

Methods: MM



MacroModel: Versatile, full-featured program for molecular modeling
MacroModel combines leading force fields, accurate effective solvation models, and advanced conformational searching methods to provide the most complete molecular modeling package suitable for a wide array of research.

Features:

Unmatched accuracy: MacroModel's combination of high-quality force fields and GB/SA effective solvation model leads to reliably accurate estimations of energies.
Advanced simulation: MacroModel performs molecular dynamics simulations to model systems at finite temperatures using stochastic dynamics and mixed Monte Carlo algorithms. MacroModel computes free energy changes using free energy perturbation method and the MINTA analysis module.
Superior conformational analysis: MacroModel supports a wide range of conformational searching methods, capable of handling systems ranging from small molecules to entire proteins.
Force field selection: MacroModel supports all leading force fields, including MM2, MM3, AMBER, AMBER94, MMFF, OPLS, MMFFs and OPLS-AA, to support a wide range of research applications.
Development commitment: Schroedinger is committed to the continued development of MacroModel. MacroModel has evolved over the years, driven by one of the largest user bases in molecular modeling, to enhance capabilities, improve performance, and to incorporate the latest scientific advances.


Link: http://www.schrodinger.com/ProductDescription.php?mID=6&sID=8&cID=0


webmaster@freechemical.info