LamBras's targeted_md [8 articles] Export

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

	A dynamic model for the allosteric mechanism of GroEL. [My Copy] J Mol Biol, Vol. 302, No. 2. (15 September 2000), pp. 303-313. by J. Ma, P. B. Sigler, Z. Xu, M. Karplus posted to md targeted_md by LamBras on 2008-07-20 15:11:27 as along with 3 people dfgreen lna dgront
	Targeted molecular dynamics simulation studies of binding and conformational changes in <I>E. coli</I> MurD [My Copy] Proteins: Structure, Function, and Bioinformatics, Vol. 68, No. 1. (2007), pp. 243-254. by Andrej Perdih, Miha Kotnik, Milan Hodoscek, Tom Solmajer posted to md targeted_md by LamBras on 2008-07-17 18:00:23 as
	Extending the capabilities of targeted molecular dynamics: Simulation of a large conformational transition in plasminogen activator inhibitor 1 [My Copy] Protein Sci, Vol. 10, No. 4. (1 April 2001), pp. 798-808. by Peter Kruger, Stefan Verheyden, Paul J. Declerck, Yves Engelborghs posted to md targeted_md by LamBras on 2008-07-17 17:58:24 as along with 1 person ruvido
	Targeted Molecular Dynamics Simulation of Conformational Change-Application to the T ↔ R Transition in Insulin [My Copy] Molecular Simulation, Vol. 10, No. 2. (1993), pp. 291-308. by J. Schlitter, M. Engels, P. Krüger, E. Jacoby, A. Wollmer posted to md targeted_md by LamBras on 2008-07-17 17:56:50 as
	Steered molecular dynamics investigations of protein function [My Copy] Journal of Molecular Graphics and Modelling, Vol. 19, No. 1. (February 2001), pp. 13-25. by Barry Isralewitz, Jerome Baudry, Justin Gullingsrud, Dorina Kosztin, Klaus Schulten posted to md targeted_md by LamBras on 2008-07-17 17:55:50 as along with 1 person choonpeng
	Steered molecular dynamics and mechanical functions of proteins [My Copy] Current Opinion in Structural Biology, Vol. 11, No. 2. (1 April 2001), pp. 224-230. by B. Isralewitz posted to md targeted_md by LamBras on 2008-07-17 17:54:26 as along with 4 people and 2 groups Diego_Prada devinli barry ttjoseph structural_bioinformatics Bioinformatics
	Targeted molecular dynamics: A new approach for searching pathways of conformational transitions [My Copy] Journal of Molecular Graphics, Vol. 12, No. 2. (June 1994), pp. 84-89. by J. Schlitter, M. Engels, P. Krüger posted to md targeted_md by LamBras on 2008-07-17 17:53:07 as along with 2 people Diego_Prada cactus
	Computer simulations of protein folding by targeted molecular dynamics [My Copy] Proteins: Structure, Function, and Genetics, Vol. 39, No. 3. (2000), pp. 252-260. by Philippe Ferrara, Joannis Apostolakis, Amedeo Caflisch posted to md targeted_md by LamBras on 2008-07-17 17:51:25 as

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flexibility	61
md	61
nmda	58
serinracemase	58
docking	53
virtual_screening	45
adme	30
drugdesign	26
review	19
scoring	18
cheminformatics	14
trna	13
bayesian	12
free_energy	12
ion_channels	12
muscarinic	12
sidechain	12
library_design	10
homology_modeling	9
normal_modes	8
targeted_md	8
nr1	7
rotamers	7
sar	7
conformers	6
gpcr	6
clustering	5
forcefield	5
nmr	5
xray	5
druglike	4
herg	4
proteins	4
surface	4
water_replacement	4
alzheimer	3
chemicalspace	3
ensemble	3
fingerprints	3
hts	3
scaffoldhopping	3
correlation	2
dynamics	2
graph	2
hd	2
lipophilicity	2
mmpbsa	2
pipelining	2
racemase	2
shape	2
similarity	2
allosteric	1
denovo	1
de_novo	1
induced_fit	1
itc	1
m1m2	1
ppb	1
qsar	1
r1	1
schroedinger	1
validation	1
virtuak_screening	1
x-ray	1

LamBras's targeted_md [8 articles] Export

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