Authors:
Amadei, A
Iacono, B
Grego, S
Chillemi, G
Apol, MEF
Paci, E
Delfini, M
Di Nola, A
Citation: A. Amadei et al., On the use of the quasi-Gaussian entropy theory in systems of polyatomic flexible molecules, J PHYS CH B, 105(9), 2001, pp. 1834-1844
Citation: M. Aschi et al., A first-principles method to model perturbed electronic wavefunctions: theeffect of an external homogeneous electric field, CHEM P LETT, 344(3-4), 2001, pp. 374-380
Authors:
Amadei, A
Chillemi, G
Ceruso, MA
Grottesi, A
Di Nola, A
Citation: A. Amadei et al., Molecular dynamics simulations with constrained roto-translational motions: Theoretical basis and statistical mechanical consistency, J CHEM PHYS, 112(1), 2000, pp. 9-23
Authors:
Roccatano, D
Amadei, A
Di Nola, A
Berendsen, HJC
Citation: D. Roccatano et al., A molecular dynamics study of the 41-56 beta-hairpin from B1 domain of protein G, PROTEIN SCI, 8(10), 1999, pp. 2130-2143
Citation: Ma. Ceruso et al., Mechanics and dynamics of B1 domain of protein G: Role of packing and surface hydrophobic residues, PROTEIN SCI, 8(1), 1999, pp. 147-160
Citation: A. Amadei et al., On the convergence of the conformational coordinates basis set obtained bythe essential dynamics analysis of proteins' molecular dynamics simulations, PROTEINS, 36(4), 1999, pp. 419-424
Citation: Ma. Ceruso et al., Effects of core-packing on the structure, function, and mechanics of a four-helix-bundle protein ROP, PROTEINS, 36(4), 1999, pp. 436-446
Authors:
Amadei, A
de Groot, BL
Ceruso, MA
Paci, M
Di Nola, A
Berendsen, HJC
Citation: A. Amadei et al., A kinetic model for the internal motions of proteins: Diffusion between multiple harmonic wells, PROTEINS, 35(3), 1999, pp. 283-292
Citation: R. Mangoni et al., Docking of flexible ligands to flexible receptors in solution by moleculardynamics simulation, PROTEINS, 35(2), 1999, pp. 153-162
Authors:
Amadei, A
Apol, MEF
Chillemi, G
Berendsen, HJC
Di Nola, A
Citation: A. Amadei et al., Derivation of a general fluid equation of state based on the quasi-Gaussian entropy theory: application to the Lennard-Jones fluid, MOLEC PHYS, 96(10), 1999, pp. 1469-1490
Authors:
Apol, MEF
Amadei, A
Berendsen, HJC
Di Nola, A
Citation: Mef. Apol et al., Derivation of thermal equations of state for quantum systems using the quasi-Gaussian entropy theory, J CHEM PHYS, 111(10), 1999, pp. 4431-4441
Authors:
Bare, S
Coiro, VM
Scaloni, A
Di Nola, A
Paci, M
Segre, AL
Ballio, A
Citation: S. Bare et al., Conformations in solution of the fuscopeptins - Phytotoxic metabolites of Pseudomonas fuscovaginae, EUR J BIOCH, 266(2), 1999, pp. 484-492