dfgreen's interactions [17 articles] Export

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

	Application of RESP charges to calculate conformational energies, hydrogen bond energies, and free energies of solvation [My Copy] 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 along with 1 person and 1 group A_Coletta_Thesis Structural Biology Group TorVergata
	Polar hydrogen positions in proteins: empirical energy placement and neutron diffraction comparison. [My Copy] Proteins, Vol. 4, No. 2. (1988), pp. 148-156. by A. T. Brünger, M. Karplus posted to interactions protonation software by dfgreen on 2009-01-08 22:59:43 as along with 1 person csrocha
	Asparagine and glutamine: using hydrogen atom contacts in the choice of side-chain amide orientation. [My Copy] J Mol Biol, Vol. 285, No. 4. (29 January 1999), pp. 1735-1747. by J. M. Word, S. C. Lovell, J. S. Richardson, D. C. Richardson posted to interactions packing protonation software by dfgreen on 2009-01-08 22:58:46 as along with 4 people and 2 groups kaarsinogen jwm j3xucite blackbart Radiation_Damage Stressosome
	Balancing Solvation and Intramolecular Interactions: Toward a Consistent Generalized Born Force Field [My Copy] Journal of the American Chemical Society, Vol. 128, No. 11. (1 March 2006), pp. 3728-3736. by Jianhan Chen, Wonpil Im, Charles L. Brooks posted to force-fields generalized-born interactions solvation by dfgreen on 2009-01-08 21:57:21 as along with 5 people ckmyo oteri yxue onufriev bilab
	A combinatorial approach to protein docking with flexible side chains. [My Copy] J Comput Biol, Vol. 9, No. 4. (2002), pp. 597-612. by E. Althaus, O. Kohlbacher, H. P. Lenhof, P. Müller posted to docking interactions packing protein-protein by dfgreen on 2009-01-08 21:24:34 as along with 2 people karinaecomp bluvsh1
	The atomic structure of protein-protein recognition sites. [My Copy] J Mol Biol, Vol. 285, No. 5. (5 February 1999), pp. 2177-2198. by L. Lo Conte, C. Chothia, J. Janin posted to interactions protein-protein structure by dfgreen on 2009-01-08 21:06:31 as along with 1 person bicko
	Principles of protein-protein recognition. [My Copy] Nature, Vol. 256, No. 5520. (28 August 1975), pp. 705-708. by C. Chothia, J. Janin posted to interactions protein-protein by dfgreen on 2009-01-08 21:01:49 as
	Dissecting protein-protein recognition sites [My Copy] Proteins: Structure, Function, and Genetics, Vol. 47, No. 3. (2002), pp. 334-343. by Pinak Chakrabarti, Joël Janin posted to interactions protein-protein by dfgreen on 2009-01-08 20:58:41 as along with 1 person and 1 group csrocha structural_bioinformatics
	Molecular orbital study of acetic acid aggregation. 1. Monomers and dimers [My Copy] The Journal of Physical Chemistry, Vol. 97, No. 47. (1 November 1993), pp. 12197-12204. by Laszlo Turi, J. J. Dannenberg posted to ab-initio interactions quantum-mechanics by dfgreen on 2009-01-08 19:51:05 as
	Electrostatic aspects of protein-protein interactions. [My Copy] Current opinion in structural biology, Vol. 10, No. 2. (April 2000), pp. 153-159. by F. B. Sheinerman, R. Norel, B. Honig posted to electrostatics interactions protein-protein review by dfgreen on 2009-01-08 19:14:11 as along with 1 person bicko
	Functionality maps of binding sites: a multiple copy simultaneous search method. [My Copy] Proteins, Vol. 11, No. 1. (1991), pp. 29-34. by A. Miranker, M. Karplus posted to design interactions ligand molecular by dfgreen on 2009-01-08 02:23:03 as along with 1 person ubcg08l
	Computer simulation of protein-protein association kinetics: acetylcholinesterase-fasciculin. [My Copy] J Mol Biol, Vol. 291, No. 1. (6 August 1999), pp. 149-162. by A. H. Elcock, R. R. Gabdoulline, R. C. Wade, J. A. McCammon posted to brownian dynamics interactions kinetics protein-protein by dfgreen on 2009-01-08 02:07:26 as along with 3 people and 2 groups barry mikaellund Martin8223 structural_bioinformatics Bioinformatics
	Barstar is electrostatically optimized for tight binding to barnase. [My Copy] Nature structural biology, Vol. 8, No. 1. (January 2001), pp. 73-76. by L. P. Lee, B. Tidor posted to binding electrostatics interactions optimization protein protein-protein by dfgreen on 2009-01-08 01:40:32 as along with 1 person flbarroso
	How optimal are the binding energetics of barnase and barstar? [My Copy] Biophysical journal, Vol. 87, No. 3. (September 2004), pp. 1618-1630. by T. Wang, S. Tomic, R. R. Gabdoulline, R. C. Wade posted to binding electrostatics interactions protein protein-protein by dfgreen on 2009-01-08 01:38:41 as along with 3 people flbarroso chad_davis ras
	Computational design of antibody-affinity improvement beyond in vivo maturation. [My Copy] Nat Biotechnol (23 September 2007) by Shaun M M. Lippow, K Dane D. Wittrup, Bruce Tidor posted to binding design electrostatics interactions protein protein-protein by dfgreen on 2009-01-08 01:33:59 as along with 4 people and 1 group Scis0000002 kirasato hmk zwang Chang group
	Electrostatic interactions in the GCN4 leucine zipper: substantial contributions arise from intramolecular interactions enhanced on binding. [My Copy] Protein science : a publication of the Protein Society, Vol. 8, No. 7. (July 1999), pp. 1381-1392. by Z. S. Hendsch, B. Tidor posted to binding electrostatics interactions protein protein-protein by dfgreen on 2009-01-08 01:13:00 as
	Optimization of electrostatic interactions in protein-protein complexes. [My Copy] Biophysical journal, Vol. 93, No. 10. (15 November 2007), pp. 3340-3352. by K. Brock, K. Talley, K. Coley, P. Kundrotas, E. Alexov posted to binding electrostatics interactions optimization protein-protein by dfgreen on 2009-01-07 23:33:15 as along with 4 people and 1 group flbarroso timg choonpeng sobolevnrm baker-group

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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 interactions [17 articles] Export

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