A_Coletta_Thesis's coarse_grained [15 articles] Export

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	Interplay of DNA supercoiling and catenation during the segregation of sister duplexes [My Copy] Nucl. Acids Res., Vol. 37, No. 15. (1 August 2009), pp. 5126-5137. by Maria L. Martinez-Robles, Guillaume Witz, Pablo Hernandez, Jorge B. Schvartzman, Andrzej Stasiak, Dora B. Krimer posted to molecular_dynamics dna coarse_grained by A_Coletta_Thesis on 2009-09-20 12:07:08 as along with 1 group Structural Biology Group TorVergata
	Combining an Elastic Network With a Coarse-Grained Molecular Force Field: Structure, Dynamics, and Intermolecular Recognition [My Copy] Journal of Chemical Theory and Computation, Vol. 5, No. 9. (8 September 2009), pp. 2531-2543. by Xavier Periole, Marco Cavalli, Siewert-Jan Marrink, Marco A. Ceruso posted to molecular_dynamics coarse_grained by A_Coletta_Thesis on 2009-09-15 12:08:32 as along with 3 people and 2 groups TonyIvetac pmung okapi McCammon Structural Biology Group TorVergata
	Coarse-Grained MD Simulations and Protein−Protein Interactions: The Cohesin−Dockerin System [My Copy] Journal of Chemical Theory and Computation, Vol. 5, No. 9. (8 September 2009), pp. 2465-2471. by Benjamin A. Hall, Mark S. P. Sansom posted to molecular_dynamics coarse_grained by A_Coletta_Thesis on 2009-09-15 12:07:46 as along with 2 people and 1 group ibuch qshao Structural Biology Group TorVergata
	Transferable Coarse-Grained Models for Ionic Liquids [My Copy] Journal of Chemical Theory and Computation, Vol. 5, No. 4. (14 April 2009), pp. 1091-1098. by Yanting Wang, Shulu Feng, Gregory A. Voth posted to coarse_grained force_field parametrization solvent by A_Coletta_Thesis on 2009-04-22 11:43:54 as along with 1 group Structural Biology Group TorVergata
	The MARTINI Force Field: Coarse Grained Model for Biomolecular Simulations [My Copy] The Journal of Physical Chemistry B, Vol. 111, No. 27. (1 July 2007), pp. 7812-7824. by Siewert J. Marrink, H. Jelger Risselada, Serge Yefimov, D. Peter Tieleman, Alex H. de Vries posted to coarse_grained force_field molecular_dynamics parametrization by A_Coletta_Thesis on 2009-01-14 16:37:44 as along with 7 people and 2 groups anuragsethi sunrise Marine choonpeng softsimu dimka sunnytov Structural Biology Group TorVergata Molecular dynamics in MSU
	The MARTINI Coarse-Grained Force Field: Extension to Proteins [My Copy] Journal of Chemical Theory and Computation, Vol. 4, No. 5. (1 May 2008), pp. 819-834. by Luca Monticelli, Senthil K. Kandasamy, Xavier Periole, Ronald G. Larson, D. Peter Tieleman, Siewert-Jan Marrink posted to coarse_grained force_field molecular_dynamics parametrization by A_Coletta_Thesis on 2009-01-14 16:31:31 as along with 13 people and 3 groups arnaucordomi dimka oteri sunrise flbarroso krapnik Marine middledomain sobolevnrm Ema aqeel DanielParton softsimu Structural Biology Group TorVergata Molecular dynamics in MSU baker-group
	Fast centroid molecular dynamics: a force-matching approach for the predetermination of the effective centroid forces. [My Copy] The Journal of chemical physics, Vol. 122, No. 5. (1 February 2005) by T. D. Hone, S. Izvekov, G. A. Voth posted to coarse_grained molecular_dynamics parametrization by A_Coletta_Thesis on 2008-10-08 20:24:54 as
	Effective force field for liquid hydrogen fluoride from ab initio molecular dynamics simulation using the force-matching method. [My Copy] The journal of physical chemistry. B, Vol. 109, No. 14. (14 April 2005), pp. 6573-6586. by S. Izvekov, G. A. Voth posted to ab-initio coarse_grained molecular_dynamics parametrization by A_Coletta_Thesis on 2008-10-08 20:24:18 as
	Systematic Coarse-Graining of Nanoparticle Interactions in Molecular Dynamics Simulation [My Copy] The Journal of Physical Chemistry B, Vol. 109, No. 36. (1 September 2005), pp. 17019-17024. by Sergei Izvekov, Angela Violi, Gregory A. Voth posted to ab-initio coarse_grained molecular_dynamics parametrization by A_Coletta_Thesis on 2008-10-08 20:23:43 as along with 2 people and 1 group dcheong Marine Molecular dynamics in MSU
	A Multiscale Coarse-Graining Method for Biomolecular Systems [My Copy] The Journal of Physical Chemistry B, Vol. 109, No. 7. (1 February 2005), pp. 2469-2473. by Sergei Izvekov, Gregory A. Voth posted to coarse_grained molecular_dynamics by A_Coletta_Thesis on 2008-10-08 20:22:54 as along with 3 people edws flbarroso choonpeng
	Assessing Atomistic and Coarse-Grained Force Fields for Protein−Lipid Interactions: the Formidable Challenge of an Ionizable Side Chain in a Membrane [My Copy] J. Phys. Chem. B (18 July 2008) by Igor Vorobyov, Libo Li, Toby W. Allen posted to coarse_grained molecular_dynamics parametrization by A_Coletta_Thesis on 2008-10-07 16:36:21 as along with 3 people softsimu middledomain agrossfield
	REACH Coarse-Grained Biomolecular Simulation: Transferability between Different Protein Structural Classes [My Copy] Biophys. J. (9 May 2008), biophysj.108.131714. by Kei Moritsugu, Jeremy C. Smith posted to coarse_grained molecular_dynamics parametrization by A_Coletta_Thesis on 2008-10-07 16:35:19 as along with 7 people and 2 groups barry sobolevnrm paulschlesinger choonpeng aqeel jmccammon rok baker-group McCammon
	The multiscale coarse-graining method. I. A rigorous bridge between atomistic and coarse-grained models [My Copy] The Journal of Chemical Physics, Vol. 128, No. 24. (2008), 244114. by W. G. Noid, Jhih W. Chu, Gary S. Ayton, et al.Vinod Krishna, Sergei Izvekov, Gregory A. Voth, Avisek Das, Hans C. Andersen posted to coarse_grained molecular_dynamics parametrization by A_Coletta_Thesis on 2008-10-07 16:33:00 as along with 3 people edws sunrise softsimu
	Peptide Folding Using Multiscale Coarse-Grained Models [My Copy] J. Phys. Chem. B (20 September 2008) by Ian F. Thorpe, Jian Zhou, Gregory A. Voth posted to coarse_grained folding molecular_dynamics by A_Coletta_Thesis on 2008-10-07 16:32:47 as along with 3 people agrossfield middledomain paulschlesinger
	The multiscale coarse-graining method. II. Numerical implementation for coarse-grained molecular models [My Copy] The Journal of Chemical Physics, Vol. 128, No. 24. (2008), 244115. by W. G. Noid, Pu Liu, Yanting Wang, et al.Jhih W. Chu, Gary S. Ayton, Sergei Izvekov, Hans C. Andersen, Gregory A. Voth posted to coarse_grained molecular_dynamics parametrization by A_Coletta_Thesis on 2008-10-07 16:32:02 as along with 4 people edws sunrise softsimu agrossfield

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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 coarse_grained [15 articles] Export

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