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CHARMM

Known as: Charm, CHARMM27, CHARMM19 
Chemistry at Harvard Macromolecular Mechanics (CHARMM ) is the name of a widely used set of force fields for molecular dynamics, and the name for the… 
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43 relations
ARM architectureAmiraAscalaph DesignerAssisted Model Building with Energy Refinement (AMBER)

Papers overview

Semantic Scholar uses AI to extract papers important to this topic.
2016
2016
Title Role of Conserved Gly-Gly Pairs on the Periplasmic Side of LacY Permalink
On the periplasmic side of LacY, two conserved Gly-Gly pairs in helices II and XI (Gly46 and Gly370, respectively) and helices V… 
2016
2016
Computational spectroscopy of solvation phenomena in soft matter
Unter dem Uberbegriff Spektroskopie versteht man Messungen der Interaktion zwischen Materie und elektromagnetischer Strahlung. In… 
2015
2015
Understanding mechanisms of pH sensing in proprotein convertases
2013
2013
Validation of the CHARMM27 force field for nucleic acids using 2D nuclear overhauser effect spectroscopy
Nuclear magnetic resonance spectroscopy offers a powerful method for validation of molecular dynamics simulations as it provides… 
2012
2012
Factors That Affect the Computational Prediction of Hot Spots in Protein-Protein Complexes
Protein-protein complexes play an important role in the physiology and the pathology of cellular functions, and therefore are… 
2012
2012
Approaches to Access Biological Data Sources
In recent years, technological revolutions in genomics and proteomics have revolutionized the work of researchers in molecular… 
2012
2012
Structure based virtual screening of non-steroidal anti-inflammatory drugs (NSAIDs) against RNA-binding motif 6 (RBM6) involved in human lung cancer
RNA-binding motif 6 (RBM6) is one of the most potent Lung cancer target proteins in humans. Variations in the expression of two… 
2011
2011
S 1 Evaluation and validation : a consensus force field approach
To evaluate and validate our findings for the simulations of spontaneous peptide aggregation with GROMOS96 43A1, a consensus… 
2002
2002
Protein Force Fields
Proteins are arguably the most chemically, structurally, and functionally diverse of the biologically relevant macromolecules. In… 
1986
1986
CHARMM for Molecular Simulations
The Roberts Restriction and Modification Enzyme Database is now available on the DECsystem-10 and will be regularly updated… 
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