A_Coletta_Thesis's pmf [8 articles] Export

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	Standard Free Energy of Binding from a One-Dimensional Potential of Mean Force [My Copy] Journal of Chemical Theory and Computation In Journal of Chemical Theory and Computation, Vol. 5, No. 4. (14 April 2009), pp. 909-918. by Slimane Doudou, Neil A. Burton, Richard H. Henchman posted to binding free-energy pmf umbrella-sampling by A_Coletta_Thesis on 2009-04-22 10:56:58 as along with 5 people and 3 groups dcheong jmccammon carlosjavierna ibuch sobolevnrm McCammon Structural Biology Group TorVergata baker-group
	Optimized Monte Carlo data analysis [My Copy] Physical Review Letters, Vol. 63, No. 12. (1989), 1195. by Alan M. Ferrenberg, Robert H. Swendsen posted to molecular_dynamics monte_carlo pmf by A_Coletta_Thesis on 2009-01-17 13:00:55 as along with 5 people and 1 group dgront sikorski Akimasa chuan137 rulix Structural Biology Group TorVergata
	New Monte Carlo technique for studying phase transitions [My Copy] Physical Review Letters, Vol. 61, No. 23. (5 Dec 1988), pp. 2635-2638. by Alan M. Ferrenberg, Robert H. Swendsen posted to molecular_dynamics monte_carlo pmf by A_Coletta_Thesis on 2009-01-17 12:59:10 as along with 3 people and 1 group qwermish dgront Diego_Prada Structural Biology Group TorVergata
	A Monte Carlo method for obtaining the interionic potential of mean force in ionic solution [My Copy] The Journal of Chemical Physics, Vol. 63, No. 6. (1975), pp. 2334-2339. by G. N. Patey, J. P. Valleau posted to pmf umbrella-sampling by A_Coletta_Thesis on 2009-01-15 10:17:42 as along with 1 group Structural Biology Group TorVergata
	Method for free-energy calculations using iterative techniques [My Copy] Journal of Computational Chemistry, Vol. 17, No. 10. (1996), pp. 1269-1275. by Shankar Kumar, Philip W. Payne, Maximiliano Vásquez posted to free-energy molecular_dynamics pmf umbrella-sampling by A_Coletta_Thesis on 2009-01-14 15:14:56 as along with 1 group Structural Biology Group TorVergata
	Multidimensional free-energy calculations using the weighted histogram analysis method [My Copy] Journal of Computational Chemistry, Vol. 16, No. 11. (1995), pp. 1339-1350. by Shankar Kumar, John M. Rosenberg, Djamal Bouzida, Robert H. Swendsen, Peter A. Kollman posted to free-energy molecular_dynamics pmf umbrella-sampling by A_Coletta_Thesis on 2008-12-16 14:40:47 as along with 2 people and 1 group ibuch dgront Structural Biology Group TorVergata
	THE weighted histogram analysis method for free-energy calculations on biomolecules. I. The method [My Copy] Journal of Computational Chemistry, Vol. 13, No. 8. (1992), pp. 1011-1021. by Shankar Kumar, John M. Rosenberg, Djamal Bouzida, Robert H. Swendsen, Peter A. Kollman posted to free-energy molecular_dynamics pmf umbrella-sampling by A_Coletta_Thesis on 2008-12-16 14:39:38 as along with 11 people and 1 group jrperillaj edws Diego_Prada stephenbond dfgreen sunnytov dgront sikorski jwagoner bransfop allmensch Structural Biology Group TorVergata
	Persistence of Camptothecin Analog−Topoisomerase I−DNA Ternary Complexes: A Molecular Dynamics Study [My Copy] Journal of the American Chemical Society, Vol. 130, No. 52. (31 December 2008), pp. 17928-17937. by Fung-Ming Siu, Chi-Ming Che posted to umbrella-sampling topotecan topoisomerase pmf molecular_dynamics inhibitors camptothecin by A_Coletta_Thesis on 2008-12-10 15:14:56 as along with 1 group Structural Biology Group TorVergata

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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 pmf [8 articles] Export

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