Pages that link to "Q31027359"

The following pages link to Iterative Optimization of Molecular Mechanics Force Fields from NMR Data of Full-Length Proteins (Q31027359):

Displaying 23 items.

• Synergistic applications of MD and NMR for the study of biological systems (Q27021967) (← links)
• Toward Automated Benchmarking of Atomistic Force Fields: Neat Liquid Densities and Static Dielectric Constants from the ThermoML Data Archive (Q27301284) (← links)
• Capturing a Dynamic Chaperone-Substrate Interaction Using NMR-Informed Molecular Modeling (Q28818853) (← links)
• CHARMM36 all-atom additive protein force field: validation based on comparison to NMR data (Q30351917) (← links)
• Ensemble-based interpretations of NMR structural data to describe protein internal dynamics. (Q30353311) (← links)
• PPM_One: a static protein structure based chemical shift predictor. (Q30375879) (← links)
• PPM: a side-chain and backbone chemical shift predictor for the assessment of protein conformational ensembles. (Q30421203) (← links)
• Molecular Dynamics Simulations of 441 Two-Residue Peptides in Aqueous Solution: Conformational Preferences and Neighboring Residue Effects with the Amber ff99SB-ildn-NMR Force Field (Q31025559) (← links)
• On the ability of molecular dynamics force fields to recapitulate NMR derived protein side chain order parameters (Q31060485) (← links)
• The intrinsic conformational features of amino acids from a protein coil library and their applications in force field development (Q34577841) (← links)
• Further along the Road Less Traveled: AMBER ff15ipq, an Original Protein Force Field Built on a Self-Consistent Physical Model (Q36072633) (← links)
• Competitive binding between dynamic p53 transactivation subdomains to human MDM2 protein: implications for regulating the p53·MDM2/MDMX interaction. (Q36216371) (← links)
• Optimization of the additive CHARMM all-atom protein force field targeting improved sampling of the backbone φ, ψ and side-chain χ(1) and χ(2) dihedral angles (Q36546184) (← links)
• (Ala)(4)-X-(Ala)4 as a model system for the optimization of the χ1 and χ2 amino acid side-chain dihedral empirical force field parameters (Q36605195) (← links)
• ff14SB: Improving the Accuracy of Protein Side Chain and Backbone Parameters from ff99SB. (Q36766916) (← links)
• Bayesian energy landscape tilting: towards concordant models of molecular ensembles (Q38725972) (← links)
• Protein dynamics and function from solution state NMR spectroscopy (Q38810874) (← links)
• Bayesian ensemble refinement by replica simulations and reweighting (Q40152204) (← links)
• Interpreting protein structural dynamics from NMR chemical shifts (Q42549254) (← links)
• Motional timescale predictions by molecular dynamics simulations: case study using proline and hydroxyproline sidechain dynamics. (Q43088941) (← links)
• Error assessment in molecular dynamics trajectories using computed NMR chemical shifts (Q47120514) (← links)
• A discriminative Ramachandran potential of mean force aimed at minimizing secondary structure bias (Q51456570) (← links)
• Characterization of TDP-43 RRM2 Partially Folded States and Their Significance to ALS Pathogenesis (Q57492611) (← links)