A_Coletta_Thesis's Laio:A [13 articles] Export

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	A Recipe for the Computation of the Free Energy Barrier and the Lowest Free Energy Path of Concerted Reactions† [My Copy] The Journal of Physical Chemistry B, Vol. 109, No. 14. (1 April 2005), pp. 6676-6687. by Bernd Ensing, Alessandro Laio, Michele Parrinello, Michael L. Klein posted to metadynamics by A_Coletta_Thesis on 2009-11-18 16:13:16 as along with 1 group Structural Biology Group TorVergata
	Metadynamics: a method to simulate rare events and reconstruct the free energy in biophysics, chemistry and material science [My Copy] Reports on Progress in Physics, Vol. 71, No. 12. (2008), 126601. by Alessandro Laio, Francesco L. Gervasio posted to metadynamics by A_Coletta_Thesis on 2009-11-16 17:48:12 as along with 1 person and 1 group jorky Structural Biology Group TorVergata
	Tracing the Entropy along a Reactive Pathway: The Energy As a Generalized Reaction Coordinate [My Copy] Journal of Chemical Theory and Computation, Vol. 5, No. 9. (8 September 2009), pp. 2193-2196. by Carine Michel, Alessandro Laio, Anne Milet posted to molecular_dynamics metadynamics free_energy entropy by A_Coletta_Thesis on 2009-09-15 12:05:20 as along with 1 group Structural Biology Group TorVergata
	Equilibrium Free Energies from Nonequilibrium Metadynamics [My Copy] Physical Review Letters, Vol. 96, No. 9. (2006) by Giovanni Bussi, Alessandro Laio, Michele Parrinello posted to metadynamics molecular_dynamics by A_Coletta_Thesis on 2009-01-15 11:10:33 as along with 1 group Structural Biology Group TorVergata
	Reconstructing the Density of States by History-Dependent Metadynamics [My Copy] Physical Review Letters, Vol. 92, No. 17. (29 April 2004), 170601. by Cristian Micheletti, Alessandro Laio, Michele Parrinello posted to metadynamics molecular_dynamics by A_Coletta_Thesis on 2009-01-15 11:08:37 as along with 1 group Structural Biology Group TorVergata
	Efficient Exploration of Reactive Potential Energy Surfaces Using Car-Parrinello Molecular Dynamics [My Copy] Physical Review Letters, Vol. 90, No. 23. (June 2003), 238302. by M. Iannuzzi, A. Laio, M. Parrinello posted to ab-initio metadynamics molecular_dynamics by A_Coletta_Thesis on 2009-01-15 11:06:50 as along with 1 person and 1 group and_ped10 Structural Biology Group TorVergata
	Free-Energy Landscape for β Hairpin Folding from Combined Parallel Tempering and Metadynamics [My Copy] Journal of the American Chemical Society, Vol. 128, No. 41. (1 October 2006), pp. 13435-13441. by Giovanni Bussi, Francesco L. Gervasio, Alessandro Laio, Michele Parrinello posted to folding metadynamics molecular_dynamics by A_Coletta_Thesis on 2009-01-15 10:54:09 as along with 1 person and 1 group paddydu Structural Biology Group TorVergata
	Assessing the Accuracy of Metadynamics [My Copy] J. Phys. Chem. B, Vol. 109, No. 14. (14 April 2005), pp. 6714-6721. by A. Laio, A. Rodriguez-Fortea, F. L. Gervasio, M. Ceccarelli, M. Parrinello posted to metadynamics by A_Coletta_Thesis on 2009-01-15 10:45:20 as along with 2 people and 1 group loison AndreaColetta Structural Biology Group TorVergata
	Predicting the Effect of a Point Mutation on a Protein Fold: The Villin and Advillin Headpieces and Their Pro62Ala Mutants [My Copy] Journal of Molecular Biology, Vol. 375, No. 2. (11 January 2008), pp. 460-470. by Stefano Piana, Alessandro Laio, Fabrizio Marinelli, et al.Marleen Van Troys, David Bourry, Christophe Ampe, José C. Martins posted to folding metadynamics molecular_dynamics nmr by A_Coletta_Thesis on 2009-01-15 10:39:32 as along with 2 people and 1 group paddydu paulschlesinger Structural Biology Group TorVergata
	Microscopic Mechanism of Antibiotics Translocation through a Porin [My Copy] Biophysical Journal, Vol. 87, No. 1. (2004) by Matteo Ceccarelli, Christophe Danelon, Alessandro Laio, Michele Parrinello posted to docking metadynamics molecular_dynamics by A_Coletta_Thesis on 2009-01-15 10:13:35 as
	A Bias-Exchange Approach to Protein Folding [My Copy] The Journal of Physical Chemistry B, Vol. 111, No. 17. (1 May 2007), pp. 4553-4559. by Stefano Piana, Alessandro Laio posted to folding free-energy metadynamics molecular_dynamics by A_Coletta_Thesis on 2009-01-14 15:24:04 as along with 1 group Structural Biology Group TorVergata
	Flexible docking in solution using metadynamics. [My Copy] J Am Chem Soc, Vol. 127, No. 8. (2 March 2005), pp. 2600-2607. by F. L. Gervasio, A. Laio, M. Parrinello posted to metadynamics molecular_dynamics by A_Coletta_Thesis on 2008-09-10 16:50:18 as along with 3 people and 1 group apaydin baaden yongzhao TSRI_MGL
	Escaping free-energy minima. [My Copy] Proc Natl Acad Sci U S A, Vol. 99, No. 20. (October 2002), pp. 12562-12566. by A. Laio, M. Parrinello posted to metadynamics by A_Coletta_Thesis on 2008-07-22 17:42:16 as

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molecular_dynamics	107
topoisomerase	106
ab-initio	89
camptothecin	52
parametrization	51
dft	33
dna	26
topotecan	24
inhibitors	23
atp_binding_cassette	22
metadynamics	22
abc	22
resp	20
force_field	19
modeling	18
spectra	16
td-dft	16
coarse_grained	15
docking	15
nmr	15
structure	15
protein	14
software	11
dim	11
indole	11
free-energy	10
tdp1	10
folding	8
chemistry	8
review	8
chemical_shifts	8
pmf	8
dielectric	7
spectroscopy	7
qsar	6
solvent	6
umbrella-sampling	6
water	5
apoptosis	5
giao	5
frequency	5
fluorescence	4
pcm	4
cancer	4
isoquinoline	4
irinotecan	4
computation	4
monte_carlo	4
neural_networks	4
domain	3
leishmania	3
infra_red	3
single_molecule	3
rna	2
tumor	2
basis_set	2
thermodynamics	2
poisson_boltzman	2
modification	2
gene	2
uv_spectra	2
binding	2
cd	2
epr	2
drug_design	2
pme	2
supercoiling	2
electrostatic	2
clinical	2
perturbation_theory	2
irreversible	2
vaccinia	2
supercoiled_dna	2
ribosome	2
psoralens	1
population_analysis	1
aminoacid	1
calorimetric	1
sequence_analysis	1
scaling	1
myoglobin	1
scattering	1
reaction	1
mitochondria	1
replica_exchange	1
cluster_analysis	1
simulated_annealing	1
peptide	1
dna_supercoiled	1
autocorrelation	1
antechamber	1
synthesis	1
langevin	1
dna_oligomer	1
free_energy	1
isocarbostyril	1
oniom	1
raman	1
csgt	1
transcription	1
order_parameter	1
pk	1
algorithm	1
mutants	1
surface	1
antibiotics	1
evb	1
anisotropy	1
diffusion	1
nucleoside	1
tip3p	1
lanthanide	1
narciclasine	1
entropy	1
activity	1
genetic_algorithm	1
dna_binding	1
wavelet	1
liouville	1

A_Coletta_Thesis's Laio:A [13 articles] Export

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