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7. Free-energy landscape for [beta]hairpin folding from combined parallel tempering and metadynamics

10. Atomistic details of chymotrypsin conformational changes upon adsorption on silica

17. RNA Unwinding from Reweighted Pulling Simulations

21. Free-Energy Landscape for β Hairpin Folding from Combined Parallel Tempering and Metadynamics.

22. Molecular Simulations to Investigate the Impact of N6-Methylation in RNA Recognition: Improving Accuracy and Precision of Binding Free Energy Prediction.

23. Fine-Tuning of the AMBER RNA Force Field with a New Term Adjusting Interactions of Terminal Nucleotides.

25. Determination of Structural Ensembles of Proteins: Restraining vs Reweighting.

26. Atomistic Details of Chymotrypsin Conformational Changes upon Adsorption on Silica.

28. Molecular Dynamics Simulations Reveal an Interplay between SHAPE Reagent Binding and RNA Flexibility.

29. Exploring the Dynamics of Propeller Loops in Human Telomeric DNA Quadruplexes Using Atomistic Simulations.

30. Predicting the Kinetics of RNA Oligonucleotides Using Markov State Models.

31. Combining Simulations and Solution Experiments as a Paradigm for RNA Force Field Refinement.

32. Free Energy Landscape of GAGA and UUCG RNA Tetraloops.

33. Computer Folding of RNA Tetraloops: Identification of Key Force Field Deficiencies.

34. Empirical Corrections to the Amber RNA Force Field with Target Metadynamics.

36. Enhanced Conformational Sampling Using Replica Exchange with Collective-Variable Tempering.

37. Accurate multiple time step in biased molecular simulations.

38. Structural role of uracil DNA glycosylase for the recognition of uracil in DNA duplexes. Clues from atomistic simulations.

39. RNA/Peptide Binding Driven by Electrostatics-Insight from Bidirectional Pulling Simulations.

40. Role of the subunit interactions in the conformational transitions in adult human hemoglobin: an explicit solvent molecular dynamics study.

41. Metadynamics with Adaptive Gaussians.

42. RNA unwinding from reweighted pulling simulations.

43. Trans-cis switching mechanisms in proline analogues and their relevance for the gating of the 5-HT3 receptor.