A_Coletta_Thesis's docking [15 articles] Export

Recent papers added to A_Coletta_Thesis's library classified by the tag docking. You can also see everyone's docking.

	Fast and accurate predictions of binding free energies using MM-PBSA and MM-GBSA [My Copy] Journal of Computational Chemistry, Vol. 9999, No. 9999. (2009), NA. by Giulio Rastelli, Alberto Del Rio, Gianluca Degliesposti, Miriam Sgobba posted to poisson_boltzman docking by A_Coletta_Thesis on 2009-10-27 22:07:14 as along with 1 person and 1 group sobolevnrm Structural Biology Group TorVergata
	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
	Docking Studies on DNA-Ligand Interactions: Building and Application of a Protocol To Identify the Binding Mode [My Copy] Journal of Chemical Information and Modeling, Vol. 49, No. 8. (24 August 2009), pp. 1925-1935. by Clarisse G. Ricci, Paulo A. Netz posted to molecular_dynamics docking dna by A_Coletta_Thesis on 2009-09-15 12:06:49 as along with 1 group Structural Biology Group TorVergata
	AutoDock Vina: Improving the speed and accuracy of docking with a new scoring function, efficient optimization, and multithreading [My Copy] Journal of Computational Chemistry, Vol. 9999, No. 9999. (2009), NA. by Oleg Trott, Arthur J. Olson posted to docking by A_Coletta_Thesis on 2009-07-17 11:07:51 as along with 4 people and 1 group robert klexa oteri sobolevnrm 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
	DNA–psoralens molecular recognition using molecular dynamics [My Copy] Il Farmaco, Vol. 54, No. 4. (30 April 1999), pp. 202-212. by R. Boggia posted to dna docking molecular_dynamics psoralens by A_Coletta_Thesis on 2009-01-14 14:47:40 as along with 1 group Structural Biology Group TorVergata
	Dissociation of minor groove binders from DNA: insights from metadynamics simulations. [My Copy] Nucleic acids research, Vol. 36, No. 18. (October 2008), pp. 5910-5921. by A. V. Vargiu, P. Ruggerone, A. Magistrato, P. Carloni posted to dna docking free-energy metadynamics by A_Coletta_Thesis on 2008-12-27 17:12:22 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
	HADDOCK: A Protein−Protein Docking Approach Based on Biochemical or Biophysical Information [My Copy] Journal of the American Chemical Society, Vol. 125, No. 7. (1 February 2003), pp. 1731-1737. by Cyril Dominguez, Rolf Boelens, Alexandre M. J. J. Bonvin posted to docking by A_Coletta_Thesis on 2008-11-11 00:21:48 as along with 10 people bmduggan chad_davis laurabailey betainverse dgruiz bicko bluvsh1 gloria ruvido yalexeev
	Automated docking using a Lamarckian genetic algorithm and an empirical binding free energy function [My Copy] Journal of Computational Chemistry, Vol. 19, No. 14. (6 January 1998), pp. 1639-1662. by Garrett M. Morris, David S. Goodsell, Robert S. Halliday, et al.Ruth Huey, William E. Hart, Richard K. Belew, Arthur J. Olson posted to docking by A_Coletta_Thesis on 2008-11-01 09:17:36 as along with 23 people and 2 groups trishul nickolay npt11tpn jamalex joule lna Lombardo_7 karinaecomp oteri arlam dgruiz nachtalp P2324548 yongzhao peprovy tovrstra papatonyhill schlauchi carlescorbi middledomain LamBras andreramme UVA_mag_res Chang group TSRI_MGL
	Human Topoisomerase I Inhibition: Docking Camptothecin and Derivatives into a Structure-Based Active Site Model [My Copy] Biochemistry, Vol. 41, No. 5. (5 February 2002), pp. 1428-1435. by G. S. Laco, J. R. Collins, B. T. Luke, et al.H. Kroth, J. M. Sayer, D. M. Jerina, Y. Pommier posted to camptothecin docking topoisomerase topotecan by A_Coletta_Thesis on 2008-10-01 10:58:27 as
	Multiple binding modes of the camptothecin family to DNA oligomers. [My Copy] Chemistry (Weinheim an der Bergstrasse, Germany), Vol. 10, No. 22. (5 November 2004), pp. 5776-5787. by W. Bocian, R. Kawecki, E. Bednarek, et al.J. Sitkowski, A. Pietrzyk, M. P. Williamson, P. E. Hansen, L. Kozerski posted to ab-initio dft dna docking parametrization resp topotecan by A_Coletta_Thesis on 2008-10-01 10:54:50 as
	The structure-based design, synthesis and biological evaluation of DNA-binding bisintercalating bisanthrapyrazole anticancer compounds. [My Copy] Bioorganic & medicinal chemistry, Vol. 16, No. 7. (1 April 2008), pp. 3959-3968. by B. B. Hasinoff, H. Liang, X. Wu, et al.L. J. Guziec, F. S. Guziec, K. Marshall, J. C. Yalowich posted to dna docking inhibitors topoisomerase by A_Coletta_Thesis on 2008-10-01 10:38:59 as
	A computational docking study for prediction of binding mode of diospyrin and derivatives: Inhibitors of human and leishmanial DNA topoisomerase-I. [My Copy] Bioorganic & medicinal chemistry letters, Vol. 17, No. 16. (15 August 2007), pp. 4604-4612. by S. Chhabra, P. Sharma, N. Ghoshal posted to docking inhibitors topoisomerase by A_Coletta_Thesis on 2008-10-01 10:25:00 as
	Molecular docking approach on the Topoisomerase I inhibitors series included in the NCI anti-cancer agents mechanism database [My Copy] Journal of Molecular Modeling, Vol. 13, No. 3. (March 2007), pp. 393-400. by Lauria, Antonino, Ippolito, Mario, Almerico, Anna posted to camptothecin docking topoisomerase topotecan by A_Coletta_Thesis on 2008-10-01 10:19:01 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	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 docking [15 articles] Export

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