Title: On the nature of the reaction intermediate in the HIV-1 protease: a quantum chemical study
Author(s): Carnevale, V; Raugei, S; Piana, S, et al.
Source: COMPUTER PHYSICS COMMUNICATIONS Volume: 179 Issue: 1-3 Pages: 120-123 2008

 

Title: Optimal Langevin modeling of out-of-equilibrium molecular dynamics simulations
Author(s): Micheletti, C; Bussi, G; Laio, A
Source: JOURNAL OF CHEMICAL PHYSICS Volume: 129 Issue: 7 Article Number: 074105 2008

 

Title: PHYS 356-Amplitude and time scale of interdomain motions in calmodulin from molecular simulations
Author(s): Fiorin, G; Carloni, P
Source: ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY Volume: 236 Pages: 421-421 2008

 

Title: Parameterization of azole-bridged dinuclear platinum anticancer drugs via a QM/MM force matching procedure
Author(s): Spiegel, K; Magistrato, A; Maurer, P, et al.
Source: JOURNAL OF COMPUTATIONAL CHEMISTRY Volume: 29 Issue: 1 Pages: 38-49 2008

 

Title: Peptide aptamers targeting mutant p53 induce apoptosis in tumor cells
Author(s): Guida, E; Bisso, A; Fenollar-Ferrer, C, et al.
Source: CANCER RESEARCH Volume: 68 Issue: 16 Pages: 6550-6558 2008

 

Title: Predicting the effect of a point mutation on a protein fold: The villin and advillin headpieces and their Pro62Ala mutants
Author(s): Piana, S; Laio, A; Marinelli, F, et al.
Source: JOURNAL OF MOLECULAR BIOLOGY Volume: 375 Issue: 2 Pages: 460-470 2008

 

Title: Quantitative Study of the Effect of Coverage on the Hybridization Efficiency of Surface-Bound DNA Nanostructures
Author(s): Mirmomtaz, E; Castronovo, M; Grunwald, C, et al.
Source: NANO LETTERS Volume: 8 Issue: 12 Pages: 4134-4139 2008

 

Title: Second step of hydrolytic dehalogenation in haloalkane dehalogenase investigated by QM/MM methods
Author(s): Otyepka, M; Banas, P; Magistrato, A, et al.
Source: PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS Volume: 70 Issue: 3 Pages: 707-717 2008

 

Title: Simulations of knotting in confined circular DNA
Author(s): Micheletti, C; Marenduzzo, D; Orlandini, E, et al.
Source: BIOPHYSICAL JOURNAL Volume: 95 Issue: 8 Pages: 3591-3599 2008

 

Title: Sliding of alkylating anticancer drugs along the minor groove of DNA: New insights on sequence selectivity
Author(s): Vargiu, AV; Ruggerone, P; Magistrato, A, et al.
Source: BIOPHYSICAL JOURNAL Volume: 94 Issue: 2 Pages: 550-561 2008

 

Title: Small- and Large-Scale Conformational Changes of Adenylate Kinase: A Molecular Dynamics Study of the Subdomain Motion and Mechanics
Author(s): Pontiggia, F; Zen, A; Micheletti, C
Source: BIOPHYSICAL JOURNAL Volume: 95 Issue: 12 Pages: 5901-5912 2008

 

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