Bussi G - Search Results

1

Biomotors, viral assembly, and RNA nanobiotechnology: Current achievements and future directions.

Rolband L, Beasock D, Wang Y, Shu YG, Dinman JD, Schlick T, Zhou Y, Kieft JS, Chen SJ, Bussi G, Oukhaled A, Gao X, Šulc P, Binzel D, Bhullar AS, Liang C, Guo P, Afonin KA. Rolband L, et al. Among authors: bussi g. Comput Struct Biotechnol J. 2022 Nov 11;20:6120-6137. doi: 10.1016/j.csbj.2022.11.007. eCollection 2022. Comput Struct Biotechnol J. 2022. PMID: 36420155 Free PMC article. Review.

2

Unravelling the shuttling mechanism in a photoswitchable multicomponent bistable rotaxane.

Raiteri P, Bussi G, Cucinotta CS, Credi A, Stoddart JF, Parrinello M. Raiteri P, et al. Among authors: bussi g. Angew Chem Int Ed Engl. 2008;47(19):3536-9. doi: 10.1002/anie.200705207. Angew Chem Int Ed Engl. 2008. PMID: 18357607 No abstract available.

3

Ensemble of transition state structures for the cis-trans isomerization of N-methylacetamide.

Mantz YA, Branduardi D, Bussi G, Parrinello M. Mantz YA, et al. Among authors: bussi g. J Phys Chem B. 2009 Sep 17;113(37):12521-9. doi: 10.1021/jp8106556. J Phys Chem B. 2009. PMID: 19694484

4

Atomistic Details of Chymotrypsin Conformational Changes upon Adsorption on Silica.

Hildebrand N, Michaelis M, Wurzler N, Li Z, Hirst JD, Micsonai A, Kardos J, Gil-Ley A, Bussi G, Köppen S, Delle Piane M, Ciacchi LC. Hildebrand N, et al. Among authors: bussi g. ACS Biomater Sci Eng. 2018 Dec 10;4(12):4036-4050. doi: 10.1021/acsbiomaterials.8b00819. Epub 2018 Nov 15. ACS Biomater Sci Eng. 2018. PMID: 33418804

5

Equilibrium free energies from nonequilibrium metadynamics.

Bussi G, Laio A, Parrinello M. Bussi G, et al. Phys Rev Lett. 2006 Mar 10;96(9):090601. doi: 10.1103/PhysRevLett.96.090601. Epub 2006 Mar 7. Phys Rev Lett. 2006. PMID: 16606249

6

Isothermal-isobaric molecular dynamics using stochastic velocity rescaling.

Bussi G, Zykova-Timan T, Parrinello M. Bussi G, et al. J Chem Phys. 2009 Feb 21;130(7):074101. doi: 10.1063/1.3073889. J Chem Phys. 2009. PMID: 19239278

7

Nuclear quantum effects in solids using a colored-noise thermostat.

Ceriotti M, Bussi G, Parrinello M. Ceriotti M, et al. Among authors: bussi g. Phys Rev Lett. 2009 Jul 17;103(3):030603. doi: 10.1103/PhysRevLett.103.030603. Epub 2009 Jul 17. Phys Rev Lett. 2009. PMID: 19659261

8

Free-energy landscape for beta hairpin folding from combined parallel tempering and metadynamics.

Bussi G, Gervasio FL, Laio A, Parrinello M. Bussi G, et al. J Am Chem Soc. 2006 Oct 18;128(41):13435-41. doi: 10.1021/ja062463w. J Am Chem Soc. 2006. PMID: 17031956

9

Optimal Langevin modeling of out-of-equilibrium molecular dynamics simulations.

Micheletti C, Bussi G, Laio A. Micheletti C, et al. Among authors: bussi g. J Chem Phys. 2008 Aug 21;129(7):074105. doi: 10.1063/1.2969761. J Chem Phys. 2008. PMID: 19044758

10

Enhanced Conformational Sampling Using Replica Exchange with Collective-Variable Tempering.

Gil-Ley A, Bussi G. Gil-Ley A, et al. Among authors: bussi g. J Chem Theory Comput. 2015 Mar 10;11(3):1077-85. doi: 10.1021/ct5009087. J Chem Theory Comput. 2015. PMID: 25838811 Free PMC article.

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