Accelerating the Ensemble Convergence of RNA Hairpin Simulations with a Replica Exchange Structure Reservoir

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Rational design of hairpin RNA excited states reveals multi-step transitions

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Frontiers Computational Modeling as a Tool to Investigate PPI: From Drug Design to Tissue Engineering

IJMS, Free Full-Text

Accelerating the Ensemble Convergence of RNA Hairpin Simulations with a Replica Exchange Structure Reservoir

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Maximizing accuracy of RNA structure in refinement against residual dipolar couplings

Molecular basis for the increased affinity of an RNA recognition motif with re-engineered specificity: A molecular dynamics and enhanced sampling simulations study

Accelerating the Ensemble Convergence of RNA Hairpin Simulations with a Replica Exchange Structure Reservoir

Accelerating the Ensemble Convergence of RNA Hairpin Simulations with a Replica Exchange Structure Reservoir

Computer-aided comprehensive explorations of RNA structural polymorphism through complementary simulation methods, QRB Discovery

Maximizing accuracy of RNA structure in refinement against residual dipolar couplings

PDF) Maximizing accuracy of RNA structure in refinement against residual dipolar couplings

The Impact of Heterogeneous Computing on Workflows for Biomolecular Simulation and Analysis