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dfgreen's Cornell:WD [2 articles] Export

Recent papers posted to dfgreen's library by the author Cornell:WD. You can also see everyone's Cornell:WD.

Application of RESP charges to calculate conformational energies, hydrogen bond energies, and free energies of solvation

Journal of the American Chemical Society, Vol. 115, No. 21. (1 October 1993), pp. 9620-9631.

by Wendy D. Cornell, Piotr Cieplak, Christopher I. Bayly, Peter A. Kollmann

posted to ab-initio charges interactions quantum-mechanics solvation by dfgreen on 2009-01-09 01:55:58 as read

along with 1 person and 1 group A_Coletta_Thesis Structural Biology Group TorVergata

A Second Generation Force Field for the Simulation of Proteins, Nucleic Acids, and Organic Molecules

Journal of the American Chemical Society, Vol. 117, No. 19. (1 May 1995), pp. 5179-5197.

by Wendy D. Cornell, Piotr Cieplak, Christopher I. Bayly, et al.Ian R. Gould, Kenneth M. Merz, David M. Ferguson, David C. Spellmeyer, Thomas Fox, James W. Caldwell, Peter A. Kollman

posted to force-fields by dfgreen on 2009-01-08 22:31:13 as read

along with 6 people Lombardo_7 softsimu coomteng flbarroso kgutwin pavanghatty

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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

dfgreen's Cornell:WD [2 articles] Export

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