- Home
- Publications
- Publication Search
- Publication Details
Title
Recent developments and applications of the CHARMM force fields
Authors
Keywords
-
Journal
Wiley Interdisciplinary Reviews-Computational Molecular Science
Volume 2, Issue 1, Pages 167-185
Publisher
Wiley
Online
2011-06-30
DOI
10.1002/wcms.74
References
Ask authors/readers for more resources
Related references
Note: Only part of the references are listed.- Impact of 2′-hydroxyl sampling on the conformational properties of RNA: Update of the CHARMM all-atom additive force field for RNA
- (2011) Elizabeth J. Denning et al. JOURNAL OF COMPUTATIONAL CHEMISTRY
- Targeting of an Interrupted Polypurine:Polypyrimidine Sequence in Mammalian Cells by a Triplex-Forming Oligonucleotide Containing a Novel Base Analogue
- (2010) A. Semenyuk et al. BIOCHEMISTRY
- Free Energy Profile of RNA Hairpins: A Molecular Dynamics Simulation Study
- (2010) Nan-Jie Deng et al. BIOPHYSICAL JOURNAL
- Toward a Consensus View of Duplex RNA Flexibility
- (2010) Ignacio Faustino et al. BIOPHYSICAL JOURNAL
- Simulating Monovalent and Divalent Ions in Aqueous Solution Using a Drude Polarizable Force Field
- (2010) Haibo Yu et al. Journal of Chemical Theory and Computation
- Molecular dynamics investigation of psalmopeotoxin I. Probing the relationship between 3D structure, anti-malarial activity and thermal stability
- (2010) Matthew Paul Gleeson et al. JOURNAL OF MOLECULAR MODELING
- CHARMM Additive All-Atom Force Field for Glycosidic Linkages in Carbohydrates Involving Furanoses
- (2010) E. Prabhu Raman et al. JOURNAL OF PHYSICAL CHEMISTRY B
- Cholesterol Flip-Flop: Insights from Free Energy Simulation Studies
- (2010) Sunhwan Jo et al. JOURNAL OF PHYSICAL CHEMISTRY B
- Update of the CHARMM All-Atom Additive Force Field for Lipids: Validation on Six Lipid Types
- (2010) Jeffery B. Klauda et al. JOURNAL OF PHYSICAL CHEMISTRY B
- Conformational Properties of Methyl β-Maltoside and Methyl α- and β-Cellobioside Disaccharides
- (2010) Elizabeth Hatcher et al. JOURNAL OF PHYSICAL CHEMISTRY B
- Development of CHARMM Polarizable Force Field for Nucleic Acid Bases Based on the Classical Drude Oscillator Model
- (2010) Christopher M. Baker et al. JOURNAL OF PHYSICAL CHEMISTRY B
- How does Proteinase 3 interact with lipid bilayers?
- (2010) Torben Broemstrup et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- Polarization and Polarizability Assessed by Protein Amide Acidity
- (2009) Griselda Hernández et al. BIOCHEMISTRY
- CHARMM Additive All-Atom Force Field for Glycosidic Linkages between Hexopyranoses
- (2009) Olgun Guvench et al. Journal of Chemical Theory and Computation
- CHARMM Additive All-Atom Force Field for Acyclic Polyalcohols, Acyclic Carbohydrates, and Inositol
- (2009) Elizabeth R. Hatcher et al. Journal of Chemical Theory and Computation
- CHARMM: The biomolecular simulation program
- (2009) B. R. Brooks et al. JOURNAL OF COMPUTATIONAL CHEMISTRY
- Role of the Adenine Ligand on the Stabilization of the Secondary and Tertiary Interactions in the Adenine Riboswitch
- (2009) U. Deva Priyakumar et al. JOURNAL OF MOLECULAR BIOLOGY
- Polarizability rescaling and atom-based Thole scaling in the CHARMM Drude polarizable force field for ethers
- (2009) Christopher M. Baker et al. JOURNAL OF MOLECULAR MODELING
- CHARMM Additive All-Atom Force Field for Aldopentofuranoses, Methyl-aldopentofuranosides, and Fructofuranose
- (2009) Elizabeth Hatcher et al. JOURNAL OF PHYSICAL CHEMISTRY B
- Many-Body Polarization Effects and the Membrane Dipole Potential
- (2009) Edward Harder et al. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
- Molecular modeling and dynamics studies with explicit inclusion of electronic polarizability: theory and applications
- (2009) Pedro E. M. Lopes et al. THEORETICAL CHEMISTRY ACCOUNTS
- Intrinsic Curvature Properties of Photosynthetic Proteins in Chromatophores
- (2008) Danielle E. Chandler et al. BIOPHYSICAL JOURNAL
- Are Current Molecular Dynamics Force Fields too Helical?
- (2008) Robert B. Best et al. BIOPHYSICAL JOURNAL
- Molecular dynamics simulations of nucleic acid–protein complexes
- (2008) Alexander D MacKerell et al. CURRENT OPINION IN STRUCTURAL BIOLOGY
- Additive empirical force field for hexopyranose monosaccharides
- (2008) Olgun Guvench et al. JOURNAL OF COMPUTATIONAL CHEMISTRY
- Polarizable empirical force field for nitrogen-containing heteroaromatic compounds based on the classical Drude oscillator
- (2008) Pedro E. M. Lopes et al. JOURNAL OF COMPUTATIONAL CHEMISTRY
- Importance of Accurate DNA Structures in Solution: The Jun–Fos Model
- (2008) Brahim Heddi et al. JOURNAL OF MOLECULAR BIOLOGY
- Automated conformational energy fitting for force-field development
- (2008) Olgun Guvench et al. JOURNAL OF MOLECULAR MODELING
- Understanding the Dielectric Properties of Liquid Amides from a Polarizable Force Field
- (2008) Edward Harder et al. JOURNAL OF PHYSICAL CHEMISTRY B
- Atomic Detail Investigation of the Structure and Dynamics of DNA•RNA Hybrids: A Molecular Dynamics Study
- (2008) U. Deva Priyakumar et al. JOURNAL OF PHYSICAL CHEMISTRY B
- Insights into structure, dynamics and hydration of locked nucleic acid (LNA) strand-based duplexes from molecular dynamics simulations
- (2008) Vineet Pande et al. NUCLEIC ACIDS RESEARCH
Add your recorded webinar
Do you already have a recorded webinar? Grow your audience and get more views by easily listing your recording on Peeref.
Upload NowAsk a Question. Answer a Question.
Quickly pose questions to the entire community. Debate answers and get clarity on the most important issues facing researchers.
Get Started