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Brownian Dynamics Simulation of Diffusion Controlled Reactions. A Parallel Approach Using PVM on a RISC-Cluster 1-gen-1994 Fiumara, Giacomo; Sergi, Alessandro; Caristi, Giuseppe; Ferrario, Mauro; Polticelli, Fabio; Desideri, Alessandro
Simulation of Superoxide-Superoxide Dismutase Association Rate for Six Natural Variants. Comparison with the Experimental Catalytic Rate 1-gen-1994 Sergi, Alessandro; Ferrario, Mauro; Polticelli, Fabio; O'Neill, Peter; Desideri, Alessandro
Molecular-Dynamics Study of the Plastic Crystalline Phase Transition of Tetraphosphorus Triselenide 1-gen-1995 Sergi, Alessandro; Ferrario, Mauro; Elliott, Stephen R.; Mcdonald, Ian R.
First Principles Simulation of Phosphorus-Selenium Systems 1-gen-1996 Sergi, Alessandro; Ferrario, Mauro; Elliott, Stephen R.; Mcdonald, Ian R.
Reversible integrators for basic extended system molecular dynamics 1-gen-1999 Sergi, Alessandro; Ferrario, Mauro; Costa, Dino
Structure of Phosphorus-Selenium Glasses: Results from Ab Initio Molecular Dynamics Simulations 1-gen-2000 Sergi, Alessandro; Ferrario, Mauro; Buda, Francesco; Mcdonald, Ian R.
Dynamics-Function Correlation in Photobacterium Leiognathi Cu,Zn Superoxide Dismutase: a Spectroscopic and Molecular Dynamics Simulation 1-gen-2001 Falconi, Mattia; Stroppolo, Maria Elena; Cioni, Patrizia; Sergi, Alessandro; Ferrario, Mauro; Desideri, Alessandro
A Density Functional Study of the PYP Chromophore 1-gen-2001 Sergi, Alessandro; Grüning, Myrta; Ferrario, Mauro; Buda, Francesco
Non-Hamiltonian Equations of Motion with a Conserved Energy 1-gen-2001 Sergi, Alessandro
Meeting Abstract 1-gen-2002 Sergi, Alessandro; Kapral, Raymond; Pomes, Regis
Effective Binding Force Calculations in a Dimeric Protein by Molecular Dynamics Simulations 1-gen-2002 Sergi, Alessandro; Falconi, Mattia; Ferrario, Mauro; Desideri, Alessandro; Ciccotti, Giovanni
Nonadiabatic Reaction Rates for Dissipative Quantum-Classical Systems 1-gen-2003 Sergi, Alessandro; Kapral, Raymond
Non-Hamiltonian Equilibrium Statistical Mechanics 1-gen-2003 Sergi, Alessandro
Quantum-Classical Dynamics of Nonadiabatic Chemical Reactions 1-gen-2003 Sergi, Alessandro; Kapral, Raymond
Simulating Quantum Dynamics in Classical Environments 1-gen-2003 Sergi, Alessandro; Mac Kernan, Donal; Ciccotti, Giovanni; Kapral, Raymond
Generalized Bracket Formulation of Constrained Dynamics in Phase Space 1-gen-2004 Sergi, Alessandro
Quantum-Classical Limit of Quantum Correlation Functions 1-gen-2004 Sergi, Alessandro; Kapral, Raymond
Simulating Reactions that Occur Once in a Blue Moon 1-gen-2005 Ciccotti, Giovanni; Kapral, Raymond; Sergi, Alessandro
Dynamics of Condensed Phase Proton and Electron Transfer Processes 1-gen-2005 Kapral, Raymond; Sergi, Alessandro
Non-Equilibrium Molecular Dynamics 1-gen-2005 Ciccotti, Giovanni; Kapral, Raymond; Sergi, Alessandro
Mostrati risultati da 1 a 20 di 81
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