CiteULike: dfgreen's Bryce:R [3 articles]

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file-import-09-01-07b	274
electrostatics	96
protein	90
design	63
dynamics	47
molecular	47
ligand	46
solvation	44
binding	39
packing	19
quantum-mechanics	19
charges	18
optimization	18
free-energy	17
pka	17
interactions	17
review	17
perturbation	16
ab-initio	15
force-fields	15
generalized-born	13
hydrophobic	13
protein-protein	11
engineering	11
software	11
stability	9
specificity	9
structure	7
poisson-boltzmann	7
conformational	6
biopharmaceuticals	6
carbohydrate	6
enzyme	5
docking	5
catalysis	4
sequence	4
biology	4
preferences	4
systems	4
dna	4
homology	4
linear-programming	3
kinetics	3
entropy	3
semi-empirical	3
quadratic-programming	3
protonation	2
water	2
monte-carlo	2
visualization	2
structure-prediction	2
continuum-vdw	2
rna	2
folding	1
membrane-association	1
vibrational	1
calmodulin	1
phylogeny	1
resistance	1
hierarchicies	1
mean-field	1
rna-protein	1
harmonics	1
g-protein	1
dissociation	1
brownian	1
proteomics	1
analysis	1
action-at-a-distance	1
effect	1
atp	1
allostery	1
electrochemistry	1
text	1
senstivity	1

	Carbohydrate conformation in aqueous solution: calculation of a QM/MM potential of mean force☆ [My Copy] Chemical Physics Letters, Vol. 388, No. 4-6. (21 April 2004), pp. 473-478. by A. Muslim, R. Bryce posted to ab-initio carbohydrate conformational preferences quantum-mechanics by dfgreen on 2009-01-08 20:52:38 as
	Molecular dynamics and free energy analysis of neuraminidase-ligand interactions. [My Copy] Protein science : a publication of the Protein Society, Vol. 13, No. 4. (April 2004), pp. 946-957. by P. Bonnet, R. A. Bryce posted to no-tag by dfgreen on 2009-01-08 20:50:52 as along with 1 person GermanErlenkamp
	Carbohydrate-Protein Recognition: Molecular Dynamics Simulations and Free Energy Analysis of Oligosaccharide Binding to Concanavalin A [My Copy] Biophys. J., Vol. 81, No. 3. (1 September 2001), pp. 1373-1388. by R. A. Bryce, I. H. Hillier, J. H. Naismith posted to no-tag by dfgreen on 2009-01-08 17:17:03 as along with 1 person papatonyhill

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