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CHARMM
Known as:
Charm
, CHARMM27
, CHARMM19
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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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Related topics
Related topics
43 relations
ARM architecture
Amira
Ascalaph Designer
Assisted Model Building with Energy Refinement (AMBER)
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Papers overview
Semantic Scholar uses AI to extract papers important to this topic.
2013
2013
Validation of the CHARMM27 force field for nucleic acids using 2D nuclear overhauser effect spectroscopy
Kirill Zinovjev
,
E. Liepinsh
2013
Corpus ID: 59028517
Nuclear magnetic resonance spectroscopy offers a powerful method for validation of molecular dynamics simulations as it provides…
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2009
2009
Life science application support in an interoperable e-science environment
Sonja Holl
,
M. Riedel
,
Bastian Demuth
,
M. Romberg
,
A. Streit
,
V. Kasam
IEEE International Symposium on Computer-Based…
2009
Corpus ID: 20391266
In the last decade, life science applications have become more and more integrated into e-Science environments, hence they are…
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2008
2008
Molecular dynamics simulations of an apoliprotein A-I derived peptide in explicit water
A. Stavrakoudis
2008
Corpus ID: 55286555
2007
2007
Molecular dynamics simulation of the preferred conformations of 2-thiouridine in aqueous solution
A. Lahiri
,
J. Sarzynska
,
L. Nilsson
,
T. Kulinski
2007
Corpus ID: 97714254
Transfer RNA (tRNA) molecules display a large diversity of posttranscriptionally modified nucleosides at the anticodon wobble at…
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2007
2007
State conditions transferability of vapor–liquid equilibria via fluctuation solution theory with correlation function integrals from molecular dynamics simulation
S. Christensen
,
G. Peters
,
F. Y. Hansen
,
J. O’Connell
,
J. Abildskov
2007
Corpus ID: 96278135
2007
2007
Divalent Cation Adsorption on the Actin Monomer
Wei Shi
,
M. V. Inamdar
,
A. Sastry
,
C. Lastoskie
2007
Corpus ID: 43835722
Binding energies for calcium adsorption on the actin monomer have been computed from molecular dynamics simulation using the…
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2004
2004
Workflow-Based Grid Portal for Quantum Mechanics
Sung-Wook Byun
,
Yun-Kyoung Lee
,
Yong-won Kwon
,
So-Hyun Ryu
,
Chang-Sung Jeong
GCC Workshops
2004
Corpus ID: 11680754
We have been developing Workflow-based grId portal for problem Solving Environment for a Quantum Mechanics (QMWISE). Quantum…
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2002
2002
Protein Force Fields
Alexander D. MacKerell
2002
Corpus ID: 82568473
Proteins are arguably the most chemically, structurally, and functionally diverse of the biologically relevant macromolecules. In…
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2000
2000
Protein structure in anisotropic environments: Unique structural fold from orientational constraints
J. Quine
,
T. Cross
2000
Corpus ID: 16229503
The mathematical foundation of the determination of protein structure from orientational constraints is described. The tools used…
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1991
1991
Theory of long time peptide dynamics: Test of various reduced descriptions and role of internal variables
Y. Hu
,
G. Fleming
,
K. Freed
,
A. Perico
1991
Corpus ID: 14359510
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