A_Coletta_Thesis's modeling [18 articles] Export

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	Conservation of Structure and Mechanism between Eukaryotic Topoisomerase I and Site-Specific Recombinases [My Copy] Cell, Vol. 92, No. 6. (March 1998), pp. 841-850. by C. Cheng posted to topoisomerase structure modeling by A_Coletta_Thesis on 2009-10-30 23:48:29 as along with 1 group Structural Biology Group TorVergata
	Quinoline alkaloids as intercalative topoisomerase inhibitors [My Copy] Journal of Molecular Modeling, Vol. 15, No. 12. (1 December 2009), pp. 1417-1426. by Kendall Byler, Chen Wang, William Setzer posted to topoisomerase modeling inhibitors ab-initio by A_Coletta_Thesis on 2009-10-30 23:20:34 as along with 1 group Structural Biology Group TorVergata
	Why similar protein sequences encode similar three-dimensional structures? [My Copy] Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta) by Szymon Kaczanowski, Piotr Zielenkiewicz posted to protein modeling folding by A_Coletta_Thesis on 2009-10-28 19:53:29 as along with 1 group Structural Biology Group TorVergata
	Basic concepts of artificial neural network (ANN) modeling and its application in pharmaceutical research [My Copy] Journal of Pharmaceutical and Biomedical Analysis, Vol. 22, No. 5. (June 2000), pp. 717-727. by S. Agatonovic-Kustrin posted to neural_networks modeling drug_design by A_Coletta_Thesis on 2009-10-06 12:02:06 as along with 1 group Structural Biology Group TorVergata
	Artificial neural networks for computer-based molecular design [My Copy] Progress in Biophysics and Molecular Biology, Vol. 70, No. 3. (November 1998), pp. 175-222. by G. Schneider posted to neural_networks modeling drug_design by A_Coletta_Thesis on 2009-10-06 11:59:25 as along with 1 person and 1 group LamBras Structural Biology Group TorVergata
	Chapter 4 Modeling Protein–Protein and Protein–Nucleic Acid Interactions: Structure, Thermodynamics, and Kinetics [My Copy] Annual Reports in Computational Chemistry, Vol. 4 (2008), pp. 67-87. by H. Zhou, S. Qin, H. Tjong posted to protein molecular_dynamics modeling dna by A_Coletta_Thesis on 2009-10-06 11:31:19 as along with 1 person and 2 groups sobolevnrm Structural Biology Group TorVergata baker-group
	GARD: A Generally Applicable Replacement for RMSD [My Copy] Journal of Chemical Information and Modeling, Vol. 49, No. 8. (24 August 2009), pp. 1889-1900. by J. Christian Baber, David C. Thompson, Jason B. Cross, Christine Humblet posted to modeling docking by A_Coletta_Thesis on 2009-09-15 12:10:11 as along with 3 people and 1 group nickolay zimbo1 reyez Structural Biology Group TorVergata
	QSAR analysis and molecular modeling of ABCG2-specific inhibitors. [My Copy] Advanced drug delivery reviews, Vol. 61, No. 1. (31 January 2009), pp. 34-46. by E. Nicolle, A. Boumendjel, S. Macalou, et al.E. Genoux, A. Ahmed-Belkacem, P-A A. Carrupt, A. Di Pietro posted to abc atp_binding_cassette modeling qsar by A_Coletta_Thesis on 2009-07-27 14:00:12 as along with 1 person and 1 group pablocarb Structural Biology Group TorVergata
	A Tweezers-like Motion of the ATP-Binding Cassette Dimer in an ABC Transport Cycle [My Copy] Molecular Cell, Vol. 12, No. 3. (September 2003), pp. 651-661. by Jue Chen, Gang Lu, Jeffrey Lin, Amy L. Davidson, Florante A. Quiocho posted to abc atp_binding_cassette modeling molecular_dynamics by A_Coletta_Thesis on 2009-07-27 11:41:30 as along with 1 group Structural Biology Group TorVergata
	Mesoscopic model for mechanical characterization of biological protein materials [My Copy] Journal of Computational Chemistry, Vol. 30, No. 6. (2009), pp. 873-880. by Gwonchan Yoon, Hyeong-Jin Park, Sungsoo Na, Kilho Eom posted to modeling molecular_dynamics protein by A_Coletta_Thesis on 2009-03-16 10:49:26 as along with 1 group Structural Biology Group TorVergata
	SHARPEN-Systematic Hierarchical Algorithms for Rotamers and Proteins on an Extended Network. [My Copy] Journal of computational chemistry (23 January 2009) by Ilya V V. Loksha, James R R. Maiolo, Cheng W W. Hong, Albert Ng, Christopher D D. Snow posted to modeling protein by A_Coletta_Thesis on 2009-03-16 10:47:51 as along with 3 people and 3 groups apaydin sobolevnrm barry baker-group Structural Biology Group TorVergata structural_bioinformatics
	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
	Conformational dependence of electrostatic potential-derived charges: Studies of the fitting procedure [My Copy] Journal of Computational Chemistry, Vol. 14, No. 7. (1993), pp. 858-866. by Terry R. Stouch, Donald E. Williams posted to modeling parametrization resp by A_Coletta_Thesis on 2008-12-14 12:18:24 as along with 1 group Structural Biology Group TorVergata
	An automatic method to generate force-field parameters for hetero-compounds. [My Copy] Acta crystallographica. Section D, Biological crystallography, Vol. 59, No. Pt 2. (February 2003), pp. 274-289. by K. Nilsson, D. Lecerof, E. Sigfridsson, U. Ryde posted to ab-initio modeling molecular_dynamics parametrization by A_Coletta_Thesis on 2008-12-09 14:11:17 as along with 1 group Structural Biology Group TorVergata
	Combining docking and molecular dynamic simulations in drug design. [My Copy] Med Res Rev (6 June 2006) by Hernán Alonso, Andrey A A. Bliznyuk, Jill E E. Gready posted to docking modeling molecular_dynamics by A_Coletta_Thesis on 2008-12-03 15:04:43 as along with 8 people and 2 groups karinaecomp flbarroso hryk oteri aqeel yongzhao kazemi LamBras Structural Biology Group TorVergata TSRI_MGL
	Binding of berberine to human telomeric quadruplex spectroscopic, calorimetric and molecular modeling studies [My Copy] FEBS Journal, Vol. 275, No. 15. (August 2008), pp. 3971-3983. by Arora, Amit, Balasubramanian, et al. Chandramouli, Kumar, Niti, Agrawal, Saurabh, Ojha, P. Rajendra, Maiti, Souvik posted to dna isoquinoline modeling by A_Coletta_Thesis on 2008-10-27 11:12:43 as
	A Structural Model for the Ternary Cleavable Complex Formed between Human Topoisomerase I, DNA, and Camptothecin [My Copy] Biochemistry, Vol. 40, No. 33. (21 August 2001), pp. 9792-9798. by J. E. Kerrigan, D. S. Pilch posted to camptothecin modeling topoisomerase by A_Coletta_Thesis on 2008-10-01 11:06:27 as
	Role of the 20-Hydroxyl Group in Camptothecin Binding by the Topoisomerase I-DNA Binary Complex [My Copy] Biochemistry, Vol. 38, No. 14. (6 April 1999), pp. 4374-4381. by X. Wang, X. Zhou, S. M. Hecht posted to camptothecin modeling topoisomerase by A_Coletta_Thesis on 2008-10-01 11:05:44 as

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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	14
protein	13
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 modeling [18 articles] Export

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