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Merck Molecular Force Field

Known as: MMFF, MMFF94 
Merck Molecular Force Field (MMFF) is a family of chemistry force fields developed by Merck Research Laboratories. They are based on the MM3 force… 
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Related topics

Related topics

3 relations
Force field (chemistry)MacroModelSpartan

Papers overview

Semantic Scholar uses AI to extract papers important to this topic.
2017
2017
Tensor Train Global Optimization: Application to Docking in the Configuration Space with a Large Number of Dimensions
The novel docking algorithm is presented and it is applied to the docking problem with flexible ligand and moveable protein atoms… 
2015
2015
The role of family functioning in the decision-making styles of adolescents in the Overberg area
Adolescence has been regarded as a particularly important stage for the continued development of young adults as they start to… 
2011
2011
A continuum solvent model: the DISOLV program - algorithms, implementation, and validation
Several implicit (continuum) solvent models are considered: the Polarized Continuum Model (PCM), the Surface Generalized Born… 
Review
2011
Review
2011
Protein folding for finding active sites by the VMD tool and force field simulation
This article employed VMD tool and force field simulation theorem for protein folding solution. This technique consists of two… 
2006
2006
Automated ligand refinement with a combined force field and shape potential
An automated computational procedure for fitting a ligand into its electron density with the use of theMMFF94 force field and a… 
2003
2003
Direct Derivation of van der Waals Force Field Parameters from Quantum Mechanical Interaction Energies
van der Waals force field parameters are difficult to determine from only experimental data because of the insufficient data-to… 
2002
2002
Accurate Transferable Model for Water, n-Octanol, and n-Hexadecane Solvation Free Energies
We present a fast continuum method for the calculation of solvation free energies. It is based on a continuum electrostatics… 
2002
2002
Molecular mechanics calculations as predictors of enantioselectivity for chiral nucleophile catalyzed reactions
Highly Cited
2001
Highly Cited
2001
Density functional study of guanine and uracil quartets and of guanine quartet/metal ion complexes
The structures and interaction energies of guanine and uracil quartets have been determined by B3LYP hybrid density‐functional… 
1998
1998
Priority queue with two-state Markov-modulated arrivals
The authors consider a single server priority queueing system with two priority classes of customers. The work is motivated for… 
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