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UnknownOn the Use of Accelerated Molecular Dynamics to Enhance Configurational Sampling in Ab Initio Simulations.
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S-EPMC3074571 | biostudies-literature
UnknownLevel-Set Variational Implicit-Solvent Modeling of Biomolecules with the Coulomb-Field Approximation.
Not available
S-EPMC3278970 | biostudies-literature
UnknownSimulations of the p97 complex suggest novel conformational states of hydrolysis intermediates.
Not available
S-EPMC3375748 | biostudies-literature
UnknownThe binding mechanism, multiple binding modes, and allosteric regulation of Staphylococcus aureus Sortase A probed by molecular dynamics simulations.
Not available
S-EPMC3575916 | biostudies-literature
UnknownDecoding allosteric regulation by the acyl carrier protein.
Not available
S-EPMC8072227 | biostudies-literature
UnknownDipeptide Aggregation in Aqueous Solution from Fixed Point-Charge Force Fields.
Not available
S-EPMC3986234 | biostudies-literature
UnknownEffects of Biomolecular Flexibility on Alchemical Calculations of Absolute Binding Free Energies.
Not available
S-EPMC3146769 | biostudies-literature
UnknownPredicting the influence of long-range molecular interactions on macroscopic-scale diffusion by homogenization of the Smoluchowski equation.
Not available
S-EPMC4032425 | biostudies-literature
UnknownUnderstanding the origins of bacterial resistance to aminoglycosides through molecular dynamics mutational study of the ribosomal A-site.
Not available
S-EPMC3140962 | biostudies-literature
UnknownCapturing Differences in the Regulation of LRRK2 Dynamics and Conformational States by Small Molecule Kinase Inhibitors.
Not available
S-EPMC10127209 | biostudies-literature
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