A_Coletta_Thesis's Wang:J [9 articles] Export

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	Influence of Solvent Polarity and Hydrogen Bonding on the Electronic Transition of Coumarin 120: A TDDFT Study [My Copy] ChemPhysChem, Vol. 9, No. 11. (2008), pp. 1593-1602. by Wenwei Zhao, Lu Pan, Wensheng Bian, Jianping Wang posted to ab-initio dft td-dft uv_spectra by A_Coletta_Thesis on 2009-01-15 10:05:28 as along with 1 group Structural Biology Group TorVergata
	Automatic parameterization of force field by systematic search and genetic algorithms [My Copy] Journal of Computational Chemistry, Vol. 22, No. 12. (2001), pp. 1219-1228. by Junmei Wang, Peter A. Kollman posted to ab-initio force_field molecular_dynamics parametrization by A_Coletta_Thesis on 2009-01-14 17:06:24 as along with 1 person and 1 group RamuAnandakrishnan Structural Biology Group TorVergata
	How well does a restrained electrostatic potential (RESP) model perform in calculating conformational energies of organic and biological molecules? [My Copy] Journal of Computational Chemistry, Vol. 21, No. 12. (2000), pp. 1049-1074. by Junmei Wang, Piotr Cieplak, Peter A. Kollman posted to ab-initio parametrization resp by A_Coletta_Thesis on 2009-01-14 15:20:15 as along with 5 people and 1 group fralium dsmueller pavanghatty allmensch rabio Structural Biology Group TorVergata
	Automatic atom type and bond type perception in molecular mechanical calculations. [My Copy] J Mol Graph Model (1 February 2006) by Junmei Wang, Wei Wang, Peter A A. Kollman, David A A. Case posted to ab-initio antechamber dft molecular_dynamics parametrization resp software by A_Coletta_Thesis on 2008-09-12 11:10:27 as along with 5 people and 1 group dgruiz nigham xdeupi marcvanhouteghem AndreaColetta LabCompMed
	A point-charge force field for molecular mechanics simulations of proteins based on condensed-phase quantum mechanical calculations [My Copy] Journal of Computational Chemistry, Vol. 24, No. 16. (December 2003), pp. 1999-2012. by Yong Duan, Chun Wu, Shibasish Chowdhury, et al.Mathew C. Lee, Guoming Xiong, Wei Zhang, Rong Yang, Piotr Cieplak, Ray Luo, Taisung Lee, James Caldwell, Junmei Wang, Peter Kollman posted to force_field molecular_dynamics resp by A_Coletta_Thesis on 2008-09-09 12:02:16 as along with 6 people and 1 group Vadikus flbarroso ashaytan Lombardo_7 xdeupi schlauchi LabCompMed
	Development and testing of a general amber force field. [My Copy] J Comput Chem, Vol. 25, No. 9. (July 2004), pp. 1157-1174. by J. Wang, R. M. Wolf, J. W. Caldwell, P. A. Kollman, D. A. Case posted to force_field molecular_dynamics parametrization resp by A_Coletta_Thesis on 2008-07-22 17:42:16 as
	Camptothecin resistance from a single mutation changing glycine 363 of human DNA topoisomerase I to cysteine. [My Copy] Cancer research, Vol. 53, No. 18. (15 September 1993), pp. 4343-4348. by P. Benedetti, P. Fiorani, L. Capuani, J. C. Wang posted to camptothecin topoisomerase by A_Coletta_Thesis on 2008-07-07 21:33:06 as along with 1 person moonycinzia
	Involvement of DNA topoisomerase I in transcription of human ribosomal RNA genes. [My Copy] Proceedings of the National Academy of Sciences of the United States of America, Vol. 85, No. 4. (February 1988), pp. 1060-1064. by H. Zhang, J. C. Wang, L. F. Liu posted to topoisomerase by A_Coletta_Thesis on 2008-07-07 18:18:34 as
	DNA topoisomerase-targeting antitumor drugs can be studied in yeast. [My Copy] Proceedings of the National Academy of Sciences of the United States of America, Vol. 85, No. 20. (October 1988), pp. 7501-7505. by J. Nitiss, J. C. Wang posted to camptothecin topoisomerase by A_Coletta_Thesis on 2008-06-12 11:09:43 as

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molecular_dynamics	108
topoisomerase	106
ab-initio	90
parametrization	52
camptothecin	52
dft	33
dna	26
topotecan	25
metadynamics	23
inhibitors	23
atp_binding_cassette	22
abc	22
resp	21
force_field	19
modeling	18
spectra	16
td-dft	16
nmr	15
docking	15
coarse_grained	15
structure	15
protein	14
software	11
dim	11
indole	11
free-energy	10
tdp1	10
chemistry	8
review	8
chemical_shifts	8
folding	8
pmf	8
spectroscopy	7
dielectric	7
qsar	6
solvent	6
umbrella-sampling	6
apoptosis	5
frequency	5
water	5
giao	5
cancer	4
pcm	4
isoquinoline	4
irinotecan	4
computation	4
monte_carlo	4
neural_networks	4
fluorescence	3
domain	3
leishmania	3
single_molecule	3
infra_red	3
vaccinia	2
ribosome	2
perturbation_theory	2
tumor	2
basis_set	2
poisson_boltzman	2
rna	2
gene	2
binding	2
cd	2
epr	2
uv_spectra	2
drug_design	2
thermodynamics	2
supercoiling	2
pme	2
supercoiled_dna	2
clinical	2
electrostatic	2
modification	2
irreversible	2
liouville	1
psoralens	1
population_analysis	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
antechamber	1
langevin	1
synthesis	1
dna_oligomer	1
isocarbostyril	1
oniom	1
raman	1
csgt	1
dna_supercoiled	1
transcription	1
order_parameter	1
pk	1
algorithm	1
free_energy	1
autocorrelation	1
mutants	1
surface	1
antibiotics	1
diffusion	1
nucleoside	1
evb	1
tip3p	1
lanthanide	1
narciclasine	1
entropy	1
genetic_algorithm	1
dna_binding	1
wavelet	1
activity	1

A_Coletta_Thesis's Wang:J [9 articles] Export

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