| 263 - 263 |
Multiscale modeling on biological systems
Sulpizi M, Faller R, Pantano S |
| 264 - 273 |
Protein-RNA complexation driven by the charge regulation mechanism
da Silva FLB, Derreumaux P, Pasquali S |
| 274 - 281 |
Essential slow degrees of freedom in protein-surface simulations: A metadynamics investigation
Prakash A, Sprenger KG, Pfaendtner J |
| 282 - 287 |
Efficient potential of mean force calculation from multiscale simulations: Solute insertion in a lipid membrane
Menichetti R, Kremer K, Bereau T |
| 288 - 295 |
Structural and mechanistic comparison of the Cyclopropane Mycolic Acid Synthases (CMAS) protein family of &ITMycobacterium tuberculosis&IT
Defelipe LA, Osman F, Marti MA, Turjanski AG |
| 296 - 304 |
Multi-scale simulations of biological systems using the OPEP coarse-grained model
Sterpone F, Doutreligne S, Tran TT, Melchionna S, Baaden M, Nguyen PH, Derreumaux P |
| 305 - 312 |
Multiscale approach to the activation and phosphotransfer mechanism of CpxA histidine kinase reveals a tight coupling between conformational and chemical steps
Marsico F, Burastero O, Defelipe LA, Lopez ED, Arrar M, Turjanski AG, Marti MA |
| 313 - 318 |
Molecular dynamics simulations of stratum corneum lipid mixtures: A multiscale perspective
Moore TC, Iacovella CR, Leonhard AC, Bunge AL, McCabe C |
| 319 - 326 |
Exploring DNA dynamics within oligonucleosomes with coarse-grained simulations: SIRAH force field extension for protein-DNA complexes
Brandner A, Schuller A, Melo F, Pantano S |
| 327 - 333 |
Intramolecular structural parameters are key modulators of the gel-liquid transition in coarse grained simulations of DPPC and DOPC lipid bilayers
Jaschonek S, Cascella M, Gauss J, Diezemann G, Milano G |
| 334 - 341 |
Recruitment of the amyloid precursor protein by gamma-secretase at the synaptic plasma membrane
Audagnotto M, Lorkowski AK, Dal Peraro M |
| 342 - 351 |
Stochastic simulation of multiscale complex systems with PISKaS: A rule-based approach
Perez-Acle T, Fuenzalida I, Martin AJM, Santibanez R, Avaria R, Bernardin A, Bustos AM, Garrido D, Dushoff J, Liu JH |
| 352 - 358 |
Effects and limitations of a nucleobase-driven backmapping procedure for nucleic acids using steered molecular dynamics
Poblete S, Bottaro S, Bussi G |
| 359 - 365 |
A mechanism for agonist activation of the glucagon-like peptide-1 (GLP-1) receptor through modelling & molecular dynamics
Santiago CG, Paci E, Donnelly D |
| 366 - 374 |
Predicting ligand binding poses for low-resolution membrane protein models: Perspectives from multiscale simulations
Schneider J, Korshunova K, Musiani F, Alfonso-Prieto M, Giorgetti A, Carloni P |
