dfgreen's pka [17 articles] Export

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	Computing ionization states of proteins with a detailed charge model [My Copy] Journal of Computational Chemistry, Vol. 17, No. 14. (1996), pp. 1633-1644. by Jan Antosiewicz, James M. Briggs, Adrian H. Elcock, Michael K. Gilson, Andrew J. Mccammon posted to electrostatics pka protein by dfgreen on 2009-01-08 20:08:40 as
	The Determinants of pKas in Proteins† [My Copy] Biochemistry, Vol. 35, No. 24. (1 January 1996), pp. 7819-7833. by Jan Antosiewicz, J. Andrew Mccammon, Michael K. Gilson posted to electrostatics pka protein by dfgreen on 2009-01-08 19:59:03 as along with 4 people scampos flbarroso onufriev RamuAnandakrishnan
	Distance dependence and salt sensitivity of pairwise, coulombic interactions in a protein [My Copy] Protein Sci, Vol. 11, No. 5. (1 May 2002), pp. 1004-1016. by Kelly K. Lee, Carolyn A. Fitch, E. B. Garcia-Moreno posted to electrostatics pka protein by dfgreen on 2009-01-08 18:57:48 as along with 1 person mikaellund
	Electrostatic Effects in Highly Charged Proteins: Salt Sensitivity of pKa Values of Histidines in Staphylococcal Nuclease† [My Copy] Biochemistry, Vol. 41, No. 17. (1 April 2002), pp. 5656-5667. by Kelly K. Lee, Carolyn A. Fitch, Juliette T. Lecomte, E. B. Garcia-Moreno posted to electrostatics pka protein by dfgreen on 2009-01-08 18:55:38 as
	Small Molecule pKa Prediction with Continuum Electrostatics Calculations [My Copy] Journal of the American Chemical Society, Vol. 116, No. 22. (1 November 1994), pp. 10298-10299. by Michael J. Potter, Michael K. Gilson, Andrew J. Mccammon posted to electrostatics pka by dfgreen on 2009-01-08 18:29:53 as
	Calculation of the pKa values for the ligands and side chains of Escherichia coli D-alanine:D-alanine ligase. [My Copy] J Med Chem, Vol. 42, No. 1. (14 January 1999), pp. 109-117. by H. A. Carlson, J. M. Briggs, J. A. McCammon posted to electrostatics pka protein by dfgreen on 2009-01-08 18:27:54 as along with 1 person blackbart
	On the calculation of pKas in proteins. [My Copy] Proteins, Vol. 15, No. 3. (March 1993), pp. 252-265. by A. S. Yang, M. R. Gunner, R. Sampogna, K. Sharp, B. Honig posted to electrostatics pka protein by dfgreen on 2009-01-08 18:17:49 as
	Prediction of Ph-dependent Properties of Proteins [My Copy] Journal of Molecular Biology, Vol. 238, No. 3. (5 May 1994), pp. 415-436. by J. Antosiewicz posted to electrostatics pka protein by dfgreen on 2009-01-08 18:15:50 as along with 2 people scampos RamuAnandakrishnan
	Improving the accuracy of protein pKa calculations: conformational averaging versus the average structure. [My Copy] Proteins, Vol. 33, No. 2. (1 November 1998), pp. 145-158. by H. W. van Vlijmen, M. Schaefer, M. Karplus posted to dynamics electrostatics molecular pka protein by dfgreen on 2009-01-08 18:09:25 as along with 2 people franklu310 RamuAnandakrishnan
	Combining conformational flexibility and continuum electrostatics for calculating pK(a)s in proteins. [My Copy] Biophys J, Vol. 83, No. 4. (October 2002), pp. 1731-1748. by R. E. Georgescu, E. G. Alexov, M. R. Gunner posted to electrostatics monte-carlo pka protein by dfgreen on 2009-01-08 18:05:30 as along with 2 people blackbart sim82
	Prediction of pKa shifts in proteins using a combination of molecular mechanical and continuum solvent calculations [My Copy] Journal of Computational Chemistry, Vol. 25, No. 15. (2004), pp. 1865-1872. by Bernd Kuhn, Peter A. Kollman, Martin Stahl posted to dynamics electrostatics molecular pka protein by dfgreen on 2009-01-08 18:00:51 as along with 3 people and 1 group flbarroso sobolevnrm sim82 baker-group
	Experimental pKa Values of Buried Residues: Analysis with Continuum Methods and Role of Water Penetration [My Copy] Biophys. J., Vol. 82, No. 6. (1 June 2002), pp. 3289-3304. by Carolyn A. Fitch, Daniel A. Karp, Kelly K. Lee, Wesley E. Stites, Eaton E. Lattman, E. B. Garcia-Moreno posted to electrostatics pka protein by dfgreen on 2009-01-08 17:53:14 as along with 1 person paulschlesinger
	Salt effects on ionization equilibria of histidines in myoglobin. [My Copy] Biophysical journal, Vol. 79, No. 3. (September 2000), pp. 1637-1654. by Y. H. Kao, C. A. Fitch, S. Bhattacharya, C. J. Sarkisian, J. T. Lecomte, B. García-Moreno E posted to electrostatics pka protein by dfgreen on 2009-01-08 17:50:34 as
	Theoretical and Experimental Analysis of Ionization Equilibria in Ovomucoid Third Domain† [My Copy] Biochemistry, Vol. 37, No. 24. (1 June 1998), pp. 8643-8652. by William R. Forsyth, Michael K. Gilson, Jan Antosiewicz, Olav R. Jaren, Andrew D. Robertson posted to electrostatics pka protein by dfgreen on 2009-01-08 17:48:36 as
	Surface Titration: A Continuum Electrostatics Model [My Copy] Journal of the American Chemical Society, Vol. 118, No. 9. (1 January 1996), pp. 2283-2284. by Jason L. Smart, Andrew J. Mccammon posted to electrostatics pka protein by dfgreen on 2009-01-08 13:11:07 as
	pH-Dependence of Protein Stability: Absolute Electrostatic Free Energy Differences between Conformations [My Copy] J. Phys. Chem. B, Vol. 101, No. 9. (27 February 1997), pp. 1663-1683. by M. Schaefer, M. Sommer, M. Karplus posted to electrostatics pka protein by dfgreen on 2009-01-08 13:09:38 as along with 1 person yalexeev
	Theory of Protein Titration Curves. I. General Equations for Impenetrable Spheres [My Copy] Journal of the American Chemical Society, Vol. 79, No. 20. (1 October 1957), pp. 5333-5339. by Charles Tanford, John G. Kirkwood posted to electrostatics pka protein by dfgreen on 2009-01-08 12:57:59 as along with 3 people zenofchem flbarroso mikaellund

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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
interactions	17
pka	17
review	17
perturbation	16
ab-initio	15
force-fields	15
generalized-born	13
hydrophobic	13
engineering	11
protein-protein	11
software	11
specificity	9
stability	9
poisson-boltzmann	7
structure	7
biopharmaceuticals	6
carbohydrate	6
conformational	6
docking	5
enzyme	5
biology	4
catalysis	4
dna	4
homology	4
preferences	4
sequence	4
systems	4
entropy	3
kinetics	3
linear-programming	3
quadratic-programming	3
semi-empirical	3
continuum-vdw	2
monte-carlo	2
protonation	2
rna	2
structure-prediction	2
visualization	2
water	2
action-at-a-distance	1
allostery	1
analysis	1
atp	1
brownian	1
calmodulin	1
dissociation	1
effect	1
electrochemistry	1
folding	1
g-protein	1
harmonics	1
hierarchicies	1
mean-field	1
membrane-association	1
phylogeny	1
proteomics	1
resistance	1
rna-protein	1
senstivity	1
text	1
vibrational	1

dfgreen's pka [17 articles] Export

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