A_Coletta_Thesis's nmr [15 articles] Export

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	Structural Basis for Topoisomerase I Inhibition by Nucleoside Analogs [My Copy] Nucleosides, Nucleotides and Nucleic Acids, Vol. 22, No. 5. (2003), pp. 653-658. by William H. Gmeiner, Shuyuan Yu, Richard T. Pon, Philippe Pourquier, Yves Pommier posted to topoisomerase nucleoside nmr inhibitors by A_Coletta_Thesis on 2009-10-01 14:28:25 as along with 1 group Structural Biology Group TorVergata
	A comparison of models for calculating nuclear magnetic resonance shielding tensors [My Copy] The Journal of Chemical Physics, Vol. 104, No. 14. (1996), pp. 5497-5509. by James R. Cheeseman, Gary W. Trucks, Todd A. Keith, Michael J. Frisch posted to nmr giao csgt chemical_shifts by A_Coletta_Thesis on 2009-09-29 12:03:22 as along with 1 person and 1 group kimikazu Structural Biology Group TorVergata
	Self-consistent perturbation theory of diamagnetism -- I. A gauge-invariant LCAO method for N.M.R. chemical shifts [My Copy] Molecular Physics: An International Journal at the Interface Between Chemistry and Physics, Vol. 27, No. 4. (1974), pp. 789-807. by Robert Ditchfield posted to perturbation_theory nmr giao chemical_shifts ab-initio by A_Coletta_Thesis on 2009-09-17 15:51:55 as along with 1 person and 1 group ferspa740 Structural Biology Group TorVergata
	[sup 15]N nuclear magnetic shielding scale from gas phase studies [My Copy] The Journal of Chemical Physics, Vol. 74, No. 1. (1981), pp. 81-88. by Cynthia J. Jameson, A. Keith Jameson, D. Oppusunggu, S. Wille, Patricia M. Burrell, Joan Mason posted to nmr chemical_shifts ab-initio by A_Coletta_Thesis on 2009-09-16 17:20:35 as along with 1 group Structural Biology Group TorVergata
	GIAO-CHF study of magnetic shielding tensors of carbon and nitrogen nuclei in cyano groups [My Copy] Journal of Molecular Structure: THEOCHEM, Vol. 497, No. 1-3. (1 February 2000), pp. 189-195. by K. Jackowski posted to nmr giao chemical_shifts ab-initio by A_Coletta_Thesis on 2009-09-16 17:10:10 as along with 1 group Structural Biology Group TorVergata
	Efficient implementation of the gauge-independent atomic orbital method for NMR chemical shift calculations [My Copy] Journal of the American Chemical Society, Vol. 112, No. 23. (1 November 1990), pp. 8251-8260. by Krzysztof Wolinski, James F. Hinton, Peter Pulay posted to nmr giao chemical_shifts ab-initio by A_Coletta_Thesis on 2009-09-16 15:36:14 as along with 1 person and 1 group ferspa740 Structural Biology Group TorVergata
	Natural chemical shielding analysis of nuclear magnetic resonance shielding tensors from gauge-including atomic orbital calculations [My Copy] The Journal of Chemical Physics, Vol. 107, No. 4. (1997), pp. 1173-1184. by Jonathan A. Bohmann, Frank Weinhold, Thomas C. Farrar posted to nmr chemical_shifts ab-initio by A_Coletta_Thesis on 2009-09-16 14:46:03 as along with 1 group Structural Biology Group TorVergata
	Hybrid Density Functional Methods Empirically Optimized for the Computation of 13C and 1H Chemical Shifts in Chloroform Solution [My Copy] Journal of Chemical Theory and Computation, Vol. 2, No. 4. (1 July 2006), pp. 1085-1092. by Keith W. Wiitala, Thomas R. Hoye, Christopher J. Cramer posted to nmr chemical_shifts ab-initio by A_Coletta_Thesis on 2009-09-16 14:16:09 as along with 1 group Structural Biology Group TorVergata
	20-O-Acylcamptothecin Derivatives: Evidence for Lactone Stabilization [My Copy] The Journal of Organic Chemistry, Vol. 65, No. 15. (1 July 2000), pp. 4601-4606. by Hong Zhao, Chyi Lee, Prakash Sai, et al.Yun H. Choe, Michelle Boro, Annapurna Pendri, Shuiyun Guan, Richard B. Greenwald posted to nmr inhibitors camptothecin by A_Coletta_Thesis on 2009-09-15 12:31:30 as along with 1 group Structural Biology Group TorVergata
	Binding of Topotecan to a Nicked DNA Oligomer in Solution [My Copy] Chemistry - A European Journal, Vol. 14, No. 9. (2008), pp. 2788-2794. by W. Bocian, R. Kawęcki, E. Bednarek, et al.J. Sitkowski, M. P. Williamson, P. E. Hansen, L. Kozerski posted to topotecan nmr dna_oligomer dna by A_Coletta_Thesis on 2009-09-14 12:00:26 as along with 1 group Structural Biology Group TorVergata
	Performance of density functional models to reproduce observed <SUP><FONT SIZE='-1'>13</FONT></SUP>C<SUP><FONT SIZE='-1'>alpha</FONT></SUP> chemical shifts of proteins in solution [My Copy] Journal of Computational Chemistry, Vol. 30, No. 6. (2009), pp. 884-892. by Jorge A. Vila, Héctor A. Baldoni, Harold A. Scheraga posted to ab-initio nmr protein by A_Coletta_Thesis on 2009-03-16 10:48:55 as along with 1 group Structural Biology Group TorVergata
	DNA Binding of Tilorone: 1H NMR and Calorimetric Studies of the Intercalation [My Copy] Biochemistry, Vol. 46, No. 27. (1 July 2007), pp. 8156-8163. by Tomoki Nishimura, Tadashi Okobira, Andrew M. Kelly, Naohiko Shimada, Yoichi Takeda, Kazuo Sakurai posted to binding calorimetric dna nmr by A_Coletta_Thesis on 2009-03-10 21:35:59 as along with 1 group 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
	A study of variable hydration states in topotecan hydrochloride [My Copy] Journal of Pharmaceutical and Biomedical Analysis, Vol. 40, No. 5. (18 March 2006), pp. 1080-1088. by F. Vogt, P. Dellorco, A. Diederich, et al.Q. Su, J. Wood, G. Zuber, L. Katrincic, R. Mueller, D. Busby, C. Debrosse posted to infra_red nmr topotecan by A_Coletta_Thesis on 2009-01-14 17:03:06 as along with 1 group Structural Biology Group TorVergata
	Simultaneous determination of protein structure and dynamics [My Copy] Nature, Vol. 433, No. 7022. (13 January 2005), pp. 128-132. by Kresten Lindorff-Larsen, Robert B. Best, Mark A. Depristo, Christopher M. Dobson, Michele Vendruscolo posted to modeling nmr by A_Coletta_Thesis on 2009-01-14 16:20:26 as along with 15 people and 3 groups Diego_Prada xdeupi karbak apaydin barry lillekatt baaden lna dgront allmensch daevans rsantana jlh64 biehl rph Structural Biology Group TorVergata structural_bioinformatics Bioinformatics

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topoisomerase	106
molecular_dynamics	104
ab-initio	89
camptothecin	52
parametrization	50
dft	33
dna	26
topotecan	24
inhibitors	23
abc	22
atp_binding_cassette	22
metadynamics	22
resp	20
force_field	18
modeling	18
spectra	16
td-dft	16
coarse_grained	15
docking	15
nmr	15
structure	15
protein	14
dim	11
indole	11
software	11
free-energy	10
tdp1	10
chemical_shifts	8
chemistry	8
folding	8
pmf	8
review	8
dielectric	7
spectroscopy	7
qsar	6
solvent	6
umbrella-sampling	6
apoptosis	5
frequency	5
giao	5
water	5
cancer	4
computation	4
fluorescence	4
irinotecan	4
isoquinoline	4
monte_carlo	4
neural_networks	4
pcm	4
domain	3
infra_red	3
leishmania	3
single_molecule	3
basis_set	2
binding	2
cd	2
clinical	2
drug_design	2
electrostatic	2
epr	2
gene	2
irreversible	2
modification	2
perturbation_theory	2
pme	2
poisson_boltzman	2
ribosome	2
rna	2
supercoiled_dna	2
supercoiling	2
thermodynamics	2
tumor	2
uv_spectra	2
vaccinia	2
activity	1
algorithm	1
aminoacid	1
anisotropy	1
antechamber	1
antibiotics	1
calorimetric	1
cluster_analysis	1
csgt	1
diffusion	1
dna_binding	1
dna_oligomer	1
dna_supercoiled	1
entropy	1
free_energy	1
genetic_algorithm	1
isocarbostyril	1
langevin	1
lanthanide	1
liouville	1
mitochondria	1
mutants	1
myoglobin	1
narciclasine	1
nucleoside	1
oniom	1
order_parameter	1
peptide	1
pk	1
population_analysis	1
psoralens	1
raman	1
reaction	1
replica_exchange	1
scaling	1
scattering	1
sequence_analysis	1
simulated_annealing	1
surface	1
synthesis	1
tip3p	1
transcription	1
wavelet	1

A_Coletta_Thesis's nmr [15 articles] Export

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