| Nome |
# |
|
Fluctuations, Finite-Size Effects and the Thermodynamic Limit in Computer Simulations: Revisiting the Spatial Block Analysis Method, file e3835194-8584-72ef-e053-3705fe0ad821
|
294
|
|
Discretized knot motion on a tensioned fiber induced by transverse waves, file e3835194-552f-72ef-e053-3705fe0ad821
|
212
|
|
Finite-size integral equations in the theory of liquids and the thermodynamic limit in computer simulations, file e3835194-a4d8-72ef-e053-3705fe0ad821
|
201
|
|
Reply to comments by R. Klein on Advantages and challenges in coupling an ideal gas to atomistic models in adaptive resolution simulations, file e3835194-58ee-72ef-e053-3705fe0ad821
|
192
|
|
A deep learning approach to the structural analysis of proteins, file e3835196-617b-72ef-e053-3705fe0ad821
|
173
|
|
Role of bending energy and knot chirality in knot distribution and their effective interaction along stretched semiflexible polymers, file e3835194-5b48-72ef-e053-3705fe0ad821
|
172
|
|
A multi-resolution model to capture both global fluctuations of an enzyme and molecular recognition in the ligand-binding site, file e3835194-5b4a-72ef-e053-3705fe0ad821
|
143
|
|
Ligand-protein interactions in lysozyme investigated through a dual-resolution model, file e3835196-9de8-72ef-e053-3705fe0ad821
|
132
|
|
Computational methods in the study of self-entangled proteins: A critical appraisal, file e3835196-784a-72ef-e053-3705fe0ad821
|
131
|
|
Advantages and challenges in coupling an ideal gas to atomistic models in adaptive resolution simulations, file e3835194-4497-72ef-e053-3705fe0ad821
|
126
|
|
Two adhesive sites can enhance the knotting probability of DNA, file e3835194-4c50-72ef-e053-3705fe0ad821
|
116
|
|
Envisioning data sharing for the biocomputing community, file e3835196-6171-72ef-e053-3705fe0ad821
|
109
|
|
Open-boundary Hamiltonian adaptive resolution: from grand canonical to non-equilibrium molecular dynamics simulations, file e3835196-a452-72ef-e053-3705fe0ad821
|
107
|
|
Multi-resolution simulations of intracellular processes, file e3835196-784c-72ef-e053-3705fe0ad821
|
104
|
|
Adaptive resolution simulation of a biomolecule and its hydration shell: Structural and dynamical properties, file e3835194-4e8b-72ef-e053-3705fe0ad821
|
100
|
|
Searching the optimal folding routes of a Complex Lasso protein, file e3835196-df1c-72ef-e053-3705fe0ad821
|
96
|
|
Comparing equilibration schemes of high-molecular-weight polymer melts with topological indicators, file e3835198-67ab-72ef-e053-3705fe0ad821
|
84
|
|
From System Modeling to System Analysis: The Impact of Resolution Level and Resolution Distribution in the Computer-Aided Investigation of Biomolecules, file e3835198-83d7-72ef-e053-3705fe0ad821
|
82
|
|
An Information-Theory-Based Approach for Optimal Model Reduction of Biomolecules, file e3835197-4c14-72ef-e053-3705fe0ad821
|
79
|
|
Density-functional-theory approach to the Hamiltonian adaptive resolution simulation method, file e3835198-8380-72ef-e053-3705fe0ad821
|
75
|
|
Kinetics of radiation-induced DNA double-strand breaks through coarse-grained simulations, file f338ef4c-342b-477d-b8db-3313f31c3c05
|
67
|
|
Una quotidiana conversazione con la meraviglia: un viaggio fra le immagini della ricerca, nella ricerca, e di chi fa ricerca = A daily conversation with wonder: a journey through the images of research, within research, and of those who do research, file e3835199-36e7-72ef-e053-3705fe0ad821
|
62
|
|
A Deep Graph Network-Enhanced Sampling Approach to Efficiently Explore the Space of Reduced Representations of Proteins, file e3835198-83d5-72ef-e053-3705fe0ad821
|
60
|
|
Communication: Kirkwood-Buff integrals in the thermodynamic limit from small-sized molecular dynamics simulations, file e3835194-4faa-72ef-e053-3705fe0ad821
|
56
|
|
Communication pathways bridge local and global conformations in an IgG4 antibody, file e3835199-1806-72ef-e053-3705fe0ad821
|
47
|
|
A journey through mapping space: characterising the statistical and metric properties of reduced representations of macromolecules, file e3835199-3c43-72ef-e053-3705fe0ad821
|
45
|
|
Structural Basis of Mutation-Dependent p53 Tetramerization Deficiency, file 479e852e-04f8-49c9-ab22-8b15de9a65d8
|
39
|
|
Spatially Resolved Thermodynamic Integration: An Efficient Method to Compute Chemical Potentials of Dense Fluids, file e3835199-0300-72ef-e053-3705fe0ad821
|
37
|
|
Protein self-entanglement modulates successful folding to the native state: A multi-scale modeling study, file e3835199-17a0-72ef-e053-3705fe0ad821
|
37
|
|
Gamma-Hemolysin Components: Computational Strategies for LukF-Hlg2 Dimer Reconstruction on a Model Membrane, file 2a4432c1-d231-4fd4-b3e0-af065f5cfd7a
|
34
|
|
Information-theoretical measures identify accurate low-resolution representations of protein configurational space, file 2f326e5a-6313-4a1b-9874-70d0a8e5e8e6
|
34
|
|
In Search of a Dynamical Vocabulary: A Pipeline to Construct a Basis of Shared Traits in Large-Scale Motions of Proteins, file f1721c06-36ce-470d-9918-d1fc451ed36e
|
33
|
|
Membrane binding of pore-forming $\upgamma$-hemolysin components studied at different lipid compositions, file 6fd1c9e8-043c-4af6-bc2b-d0c6d1e71323
|
32
|
|
Pisqrd: A Novel Variational Scheme to Identify Dinamical Domains in Proteins, file e3835199-9552-72ef-e053-3705fe0ad821
|
16
|
|
Making sense of complex systems through resolution, relevance, and mapping entropy, file 921fb8eb-1ddc-4d16-930c-382abf7ed6ca
|
15
|
|
Statistical mechanics of Hamiltonian adaptive resolution simulations, file e3835198-e716-72ef-e053-3705fe0ad821
|
13
|
|
Fast, Accurate, and System-Specific Variable-Resolution Modeling of Proteins, file 1fc6f40a-03ce-4183-90ed-d97141c23fce
|
12
|
|
Open-Boundary Molecular Mechanics/Coarse-Grained Framework for Simulations of Low-Resolution G-Protein-Coupled Receptor-Ligand Complexes, file 324bdce5-0e03-4bf9-ae0e-2b3671c264e3
|
7
|
|
Statistical mechanics of Hamiltonian adaptive resolution simulations, file e3835194-4e89-72ef-e053-3705fe0ad821
|
5
|
|
Spatially Resolved Thermodynamic Integration: An Efficient Method to Compute Chemical Potentials of Dense Fluids, file e3835199-02ff-72ef-e053-3705fe0ad821
|
4
|
|
Information-theoretical measures identify accurate low-resolution representations of protein configurational space, file c6a36ccb-be2c-4f48-9ab2-439eab093c65
|
3
|
|
Chirality modifies the interaction between knots, file e3835194-4e4d-72ef-e053-3705fe0ad821
|
3
|
|
Adaptive resolution simulation of oligonucleotides, file e3835194-552d-72ef-e053-3705fe0ad821
|
2
|
|
Steering a solute between coexisting solvation states: Revisiting nonequilibrium work relations and the calculation of free energy differences, file e3835196-7854-72ef-e053-3705fe0ad821
|
2
|
|
Fast, Accurate, and System-Specific Variable-Resolution Modeling of Proteins, file ba5653e5-4038-42c8-8ae3-06d90861f641
|
1
|
|
Folding of small knotted proteins: Insights from a mean field coarse-grained model, file e3835194-4432-72ef-e053-3705fe0ad821
|
1
|
|
Toward Hamiltonian Adaptive QM/MM: Accurate Solvent Structures Using Many-Body Potentials, file e3835194-5589-72ef-e053-3705fe0ad821
|
1
|
|
Adaptive Resolution Simulations with Self-Adjusting High-Resolution Regions, file e3835194-57c7-72ef-e053-3705fe0ad821
|
1
|
|
Accurate and general treatment of electrostatic interaction in Hamiltonian adaptive resolution simulations, file e3835194-58c5-72ef-e053-3705fe0ad821
|
1
|
|
Open Boundary Simulations of Proteins and Their Hydration Shells by Hamiltonian Adaptive Resolution Scheme, file e3835194-59a2-72ef-e053-3705fe0ad821
|
1
|
|
From classical to quantum and back: Hamiltonian adaptive resolution path integral, ring polymer, and centroid molecular dynamics, file e3835194-59a4-72ef-e053-3705fe0ad821
|
1
|
|
The relative entropy is fundamental to adaptive resolution simulations, file e3835194-5b0a-72ef-e053-3705fe0ad821
|
1
|
|
Optimal coarse-grained site selection in elastic network models of biomolecules, file e3835195-0b0f-72ef-e053-3705fe0ad821
|
1
|
|
Tackling the Limitations of Copolymeric Small Interfering RNA Delivery Agents by a Combined Experimental-Computational Approach, file e3835197-3711-72ef-e053-3705fe0ad821
|
1
|
|
PiSQRD: A web server for decomposing proteins into quasi-rigid dynamical domains, file e3835199-8a42-72ef-e053-3705fe0ad821
|
1
|
|
Finite-size integral equations in the theory of liquids and the thermodynamic limit in computer simulations, file e3835199-b53a-72ef-e053-3705fe0ad821
|
1
|
| Totale |
3.405 |