Inclusion of many-body effects in the additive CHARMM protein CMAP potential results in enhanced cooperativity of α-helix and β-hairpin formation
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CHARMM36 all-atom additive protein force field: validation based on comparison to NMR dataForce Field for Peptides and Proteins based on the Classical Drude OscillatorCHARMM additive and polarizable force fields for biophysics and computer-aided drug designFF12MC: A revised AMBER forcefield and new protein simulation protocol.Crystal Structure of a Full-Length Human Tetraspanin Reveals a Cholesterol-Binding Pocket.The Polarizable Atomic Multipole-based AMOEBA Force Field for Proteins.Variational Optimization of an All-Atom Implicit Solvent Force Field to Match Explicit Solvent Simulation Data.How Accurate Are Transition States from Simulations of Enzymatic Reactions?Thermodynamics of Deca-alanine Folding in Water.Induction of peptide bond dipoles drives cooperative helix formation in the (AAQAA)3 peptideMembrane association of the PTEN tumor suppressor: neutron scattering and MD simulations reveal the structure of protein-membrane complexes.Structural integrity of the ribonuclease H domain in HIV-1 reverse transcriptase.Current status of protein force fields for molecular dynamics simulations.Conformational Dynamics of Two Natively Unfolded Fragment Peptides: Comparison of the AMBER and CHARMM Force Fields.PRIMO: A Transferable Coarse-grained Force Field for Proteins.A Novel Bifunctional Alkylphenol Anesthetic Allows Characterization of γ-Aminobutyric Acid, Type A (GABAA), Receptor Subunit Binding Selectivity in Synaptosomes.Solvation free energies of alanine peptides: the effect of flexibility.Recent advances in transferable coarse-grained modeling of proteins.The sensitivity of folding free energy landscapes of trpzips to mutations in the hydrophobic core.Grid-based backbone correction to the ff12SB protein force field for implicit-solvent simulationsEquilibrium kinetic network of the villin headpiece in implicit solvent.Crowding in Cellular Environments at an Atomistic Level from Computer Simulations.MEFA (multiepitope fusion antigen)-Novel Technology for Structural Vaccinology, Proof from Computational and Empirical Immunogenicity Characterization of an Enterotoxigenic Escherichia coli (ETEC) Adhesin MEFA.Automated Optimization of Potential Parameters.Mechanism of intracellular allosteric β2AR antagonist revealed by X-ray crystal structure.Calmodulin Gates Aquaporin 0 Permeability through a Positively Charged Cytoplasmic Loop.Crystal Structure of an LSD-Bound Human Serotonin Receptor.D4 dopamine receptor high-resolution structures enable the discovery of selective agonists.Efficacy of independence sampling in replica exchange simulations of ordered and disordered proteins.Force field development and simulations of intrinsically disordered proteins.Structure and Misfolding of the Flexible Tripartite Coiled-Coil Domain of Glaucoma-Associated Myocilin.Hybrid All-Atom/Coarse-Grained Simulations of Proteins by Direct Coupling of CHARMM and PRIMO Force Fields.CDOCKER and λ-dynamics for prospective prediction in D₃R Grand Challenge 2.Mechanism of Substrate Translocation in an Alternating Access Transporter.Balancing Force Field Protein-Lipid Interactions To Capture Transmembrane Helix-Helix Association.The role of the Met20 loop in the hydride transfer in Escherichia coli dihydrofolate reductase.Mutational Analysis of Neuropeptide Y Reveals Unusual Thermal Stability Linked to Higher-Order Self-Association.Intramolecular Diffusion in α-Synuclein: It Depends on How You Measure ItExploring Peptide⁻Solvent Interactions: A Computational Study
P2860
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P2860
Inclusion of many-body effects in the additive CHARMM protein CMAP potential results in enhanced cooperativity of α-helix and β-hairpin formation
description
2012 nî lūn-bûn
@nan
2012年の論文
@ja
2012年論文
@yue
2012年論文
@zh-hant
2012年論文
@zh-hk
2012年論文
@zh-mo
2012年論文
@zh-tw
2012年论文
@wuu
2012年论文
@zh
2012年论文
@zh-cn
name
Inclusion of many-body effects ...... -helix and β-hairpin formation
@ast
Inclusion of many-body effects ...... -helix and β-hairpin formation
@en
type
label
Inclusion of many-body effects ...... -helix and β-hairpin formation
@ast
Inclusion of many-body effects ...... -helix and β-hairpin formation
@en
prefLabel
Inclusion of many-body effects ...... -helix and β-hairpin formation
@ast
Inclusion of many-body effects ...... -helix and β-hairpin formation
@en
P2860
P1433
P1476
Inclusion of many-body effects ...... -helix and β-hairpin formation
@en
P2093
Jeetain Mittal
Michael Feig
P2860
P304
P356
10.1016/J.BPJ.2012.07.042
P407
P577
2012-09-01T00:00:00Z