Sulfur-substitution-induced base flipping in the DNA duplex Read more about Sulfur-substitution-induced base flipping in the DNA duplex
DeepDDG: Predicting the stability change of protein point mutations using neural networks Read more about DeepDDG: Predicting the stability change of protein point mutations using neural networks
Effect of mutations on binding of ligands to guanine riboswitch probed by free energy perturbation and molecular dynamics simulations Read more about Effect of mutations on binding of ligands to guanine riboswitch probed by free energy perturbation and molecular dynamics simulations
Molecular dynamics simulation of zinc ion in water with an ab initio based neural network potential Read more about Molecular dynamics simulation of zinc ion in water with an ab initio based neural network potential
Accelerated molecular dynamics simulation for helical proteins folding in explicit water Read more about Accelerated molecular dynamics simulation for helical proteins folding in explicit water
End-point binding free energy calculation with MM/PBSA and MM/GBSA: Strategies and applications in drug design Read more about End-point binding free energy calculation with MM/PBSA and MM/GBSA: Strategies and applications in drug design
A force consistent method for electrostatic energy calculation in fluctuating charge model Read more about A force consistent method for electrostatic energy calculation in fluctuating charge model
Mechanistic studies of CO2 cycloaddition reaction catalyzed by amine-functionalized ionic liquids Read more about Mechanistic studies of CO2 cycloaddition reaction catalyzed by amine-functionalized ionic liquids
Molecular mechanism of ligand bindings to Zika virus at SAM site Read more about Molecular mechanism of ligand bindings to Zika virus at SAM site
Asymptotic behavior for an additive functional of two independent self-similar Gaussian processes Read more about Asymptotic behavior for an additive functional of two independent self-similar Gaussian processes