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	Computational design of affinity and specificity at protein–protein interfaces [My Copy] Current Opinion in Structural Biology, Vol. 19, No. 4. (29 August 2009), pp. 458-463. by John Karanicolas, Brian Kuhlman posted to rosetta review molecular-dynamics interactions design by bmduggan on 2009-10-28 15:28:08 as along with 4 people sobolevnrm VGreiff higueruelo barry
	Bornyl (3,4,5-trihydroxy)-cinnamate--an optimized human neutrophil elastase inhibitor designed by free energy calculations. [My Copy] Bioorganic & medicinal chemistry, Vol. 16, No. 5. (1 March 2008), pp. 2385-2390. by Thomas Steinbrecher, Andrea Hrenn, Korinna L. Dormann, Irmgard Merfort, Andreas Labahn posted to thermodynamic-integration molecular-dynamics interactions docking by bmduggan on 2009-09-08 20:24:03 as along with 1 person dmobley
	Anatomy of a structural pathway for activation of the catalytic domain of Src kinase Hck [My Copy] Proteins: Structure, Function, and Bioinformatics, Vol. 67, No. 4. (1 June 2007), pp. 1096-1112. by Nilesh K. Banavali, Benoît Roux posted to targeted sampling molecular-dynamics interactions allostery by bmduggan on 2009-09-04 15:33:12 as along with 3 people allmensch choonpeng ruvido
	Convergence and combination of methods in protein–protein docking [My Copy] Current Opinion in Structural Biology, Vol. 19, No. 2. (25 April 2009), pp. 164-170. by Sandor Vajda, Dima Kozakov posted to interactions haddock docking by bmduggan on 2009-09-03 19:14:51 as along with 4 people reyez barry zwang paulschlesinger
	Design of multi-specificity in protein interfaces. [My Copy] PLoS computational biology, Vol. 3, No. 8. (1 August 2007), e164. by Elisabeth L. Humphris, Tanja Kortemme posted to protein-engineering interactions by bmduggan on 2009-08-20 18:28:31 as along with 9 people and 3 groups allmensch msuarezdiez jwm bicko Einat dpollard Scis0000002 phoenixzxl marck structural_bioinformatics Bioinformatics EisenLab
	Computational design of protein-protein interactions. [My Copy] Current opinion in chemical biology, Vol. 8, No. 1. (February 2004), pp. 91-97. by Tanja Kortemme, David Baker posted to protein-engineering interactions by bmduggan on 2009-08-20 18:26:47 as along with 7 people qluo lna jwm bicko hmk cjeans jteyra
	Computational redesign of protein-protein interaction specificity [My Copy] Nat Struct Mol Biol, Vol. 11, No. 4. (April 2004), pp. 371-379. by Tanja Kortemme, Lukasz A. Joachimiak, Alex N. Bullock, Aaron D. Schuler, Barry L. Stoddard, David Baker posted to protein-engineering interactions by bmduggan on 2009-08-20 18:25:54 as along with 7 people lna jwm bicko ruvido cjeans tale jteyra
	Insights into protein-protein binding by binding free energy calculation and free energy decomposition for the Ras-Raf and Ras-RalGDS complexes. [My Copy] Journal of Molecular Biology, Vol. 330, No. 4. (18 July 2003), pp. 891-913. by H. Gohlke, C. Kiel, D. A. Case posted to interactions mmpbsa molecular-dynamics by bmduggan on 2009-06-03 22:07:57 as along with 2 people onufriev lillekatt
	Converging free energy estimates: MM-PB(GB)SA studies on the protein-protein complex Ras-Raf. [My Copy] Journal of computational chemistry, Vol. 25, No. 2. (30 January 2004), pp. 238-250. by H. Gohlke, D. A. Case posted to interactions mmpbsa molecular-dynamics by bmduggan on 2009-06-03 22:07:30 as along with 3 people flbarroso onufriev lillekatt
	Change in protein flexibility upon complex formation: analysis of Ras-Raf using molecular dynamics and a molecular framework approach. [My Copy] Proteins, Vol. 56, No. 2. (1 August 2004), pp. 322-337. by H. Gohlke, L. A. Kuhn, D. A. Case posted to interactions molecular-dynamics by bmduggan on 2009-06-03 22:05:28 as along with 4 people and 2 groups barry lna aqeel blackbart structural_bioinformatics Bioinformatics
	Group Epitope Mapping by Saturation Transfer Difference NMR To Identify Segments of a Ligand in Direct Contact with a Protein Receptor [My Copy] Journal of the American Chemical Society, Vol. 123, No. 25. (27 June 2001), pp. 6108-6117. by M. Mayer, B. Meyer posted to interactions nmr std by bmduggan on 2009-03-10 19:04:59 as along with 1 person viktor21614
	The structural requirements for ceramide activation of serine-threonine protein phosphatases [My Copy] Journal of Lipid Research, Vol. 45, No. 3. (1 March 2004), pp. 496-506. by Charles E. Chalfant, Zdzislaw Szulc, Patrick Roddy, Alicja Bielawska, Yusuf A. Hannun posted to ceramide interactions protein_phosphatase-2 by bmduggan on 2009-03-10 15:18:57 as
	Tight binding inhibition of protein phosphatase-1 by phosphatidic acid. Specificity of inhibition by the phospholipid. [My Copy] Journal of Biological Chemistry, Vol. 277, No. 18. (3 May 2002), pp. 15530-15538. by Jeffrey A. Jones, Yusuf A. Hannun posted to interactions phosphatidic_acid protein_phosphatase-1 by bmduggan on 2009-03-10 15:13:53 as
	Identification of a novel phosphatidic acid binding domain in protein phosphatase-1. [My Copy] Biochemistry, Vol. 44, No. 40. (11 October 2005), pp. 13235-13245. by J. A. Jones, R. Rawles, Y. A. Hannun posted to interactions phosphatidic_acid protein_phosphatase-1 by bmduggan on 2009-03-10 15:12:39 as
	Characterization of protein-glycolipid recognition at the membrane bilayer [My Copy] Journal of Molecular Recognition, Vol. 12, No. 3. (1999), pp. 155-168. by Stephen V. Evans, Roger C. Mackenzie posted to interactions sphingolipid by bmduggan on 2009-03-09 20:58:28 as
	NMR methods for the determination of protein–ligand dissociation constants [My Copy] Progress in Nuclear Magnetic Resonance Spectroscopy, Vol. 51, No. 4. (30 November 2007), pp. 219-242. by L. Fielding posted to equations interactions nmr by bmduggan on 2009-03-08 23:51:43 as along with 1 person yxue
	Continuum Solvent Studies of the Stability of DNA, RNA, and Phosphoramidate-DNA Helices [My Copy] Journal of the American Chemical Society, Vol. 120, No. 37. (23 September 1998), pp. 9401-9409. by J. Srinivasan, T. E. Cheatham, P. Cieplak, P. A. Kollman, D. A. Case posted to interactions mmpbsa molecular-dynamics by bmduggan on 2008-10-23 18:06:55 as along with 2 people onufriev Elena_Zubova
	Free energy calculations on dimer stability of the HIV protease using molecular dynamics and a continuum solvent model1 [My Copy] Journal of Molecular Biology, Vol. 303, No. 4. (03 November 2000), pp. 567-582. by Wei Wang, Peter A. Kollman posted to interactions molecular-dynamics by bmduggan on 2008-10-22 02:11:00 as along with 1 person flbarroso
	Calculation of protein-ligand binding affinities. [My Copy] Annual review of biophysics and biomolecular structure, Vol. 36 (2007), pp. 21-42. by Michael K. Gilson, Huan-Xiang X. Zhou posted to interactions molecular-dynamics by bmduggan on 2008-10-22 02:04:50 as along with 15 people and 3 groups mijogiffin flbarroso GermanErlenkamp onufriev arlam oteri jmccammon dimka neils hmk ashaytan ras cchang boris_aguilar qaiser_fatmi Chang group Structural Biology Group TorVergata McCammon
	BIOMOLECULAR SIMULATIONS: Recent Developments in Force Fields, Simulations of Enzyme Catalysis, Protein-Ligand, Protein-Protein, and Protein-Nucleic Acid Noncovalent Interactions [My Copy] Annual Review of Biophysics and Biomolecular Structure, Vol. 30, No. 1. (2001), pp. 211-243. by Wei Wang, Oreola Donini, Carolina M. Reyes, Peter A. Kollman posted to interactions molecular-dynamics by bmduggan on 2008-10-22 01:59:23 as along with 5 people nickolay flbarroso dfgreen RamuAnandakrishnan ibuch
	Molecular dynamics and free energy analyses of cathepsin D-inhibitor interactions: insight into structure-based ligand design. [My Copy] Journal of Medicinal Chemistry, Vol. 45, No. 7. (28 March 2002), pp. 1412-1419. by S. Huo, J. Wang, P. Cieplak, P. A. Kollman, I. D. Kuntz posted to interactions molecular-dynamics by bmduggan on 2008-10-22 01:52:01 as
	Sphingolipid-binding proteins. [My Copy] Biochimica et Biophysica Acta, Vol. 1761, No. 8. (August 2006), pp. 927-946. by C. F. Snook, J. A. Jones, Y. A. Hannun posted to interactions sphingolipid by bmduggan on 2008-10-19 11:50:25 as
	The PIP2 binding mode of the C2 domains of rabphilin-3A [My Copy] Protein Science, Vol. 17, No. 6. (1 June 2008), pp. 1025-1034. by Pierre Montaville, Nicolas Coudevylle, Anand Radhakrishnan, Andrei Leonov, Markus Zweckstetter, Stefan Becker posted to equations interactions nmr protein-ligand by bmduggan on 2008-09-04 21:13:41 as
	Direct NMR detection of the binding of functional ligands to the human sweet receptor, a heterodimeric family 3 GPCR. [My Copy] Journal of the American Chemical Society, Vol. 130, No. 23. (11 June 2008), pp. 7212-7213. by F. M. Assadi-Porter, M. Tonelli, E. Maillet, et al.K. Hallenga, O. Benard, M. Max, J. L. Markley posted to interactions nmr protein-ligand std by bmduggan on 2008-08-21 17:04:06 as

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nmr	75
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tissuefactor	34
factorvii	29
relaxation	27
factorx	27
replication-fork	25
coagulation	24
interactions	24
review	20
spombe	17
napc2	16
crystal-structure	16
disulfide	14
thrombosis	14
cancer	14
expression	14
rna	13
sampling	10
nap5	9
swi1	8
sphingolipid	7
automated-assignment	7
equations	7
swi3	6
allostery	6
structure-prediction	6
mrc1	5
mmpbsa	5
mcm	5
rosetta	5
multicopy	5
inhibitor	5
tof1	5
scerevisiae	5
sequence-analysis	5
tipin	5
tim	5
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std	4
model-free-approach	4
mat1	4
docking	4
inclusion-bodies	4
hsk1	3
cdc45	3
accelerated	3
thrombin	3
pulse-sequence	3
solution-structure	3
gins	3
convergence	3
factorix	3
protein-engineering	3
hirudin	3
protein_dynamics	3
protein_phosphatase-1	2
haddock	2
screening	2
protein-ligand	2
thermodynamic-integration	2
tip4p	2
targeted	2
ff99sb	2
temperature-coefficients	2
rad53	2
structure-determination	2
nap6	2
breast	2
phosphatidic_acid	2
trosy	2
tfe	1
protein-design	1
pseudomonas	1
ixolaris	1
tfpi	1
aceap1	1
par-2	1
ceramidase	1
rpa70	1
modeller	1
ramachandran	1
diffusion	1
rpa34	1
mec1	1
protein_phosphatase-2	1
metastasis	1
teaching	1
itc	1
shake	1
napc4	1
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dhfr	1
design	1
apoptosis	1
serine-palmitoyltransferase	1
solution_structure	1
bicelles	1
phage	1
ceramide	1
spr	1
rotamers	1
tandem-affinity-purification	1
csi	1

bmduggan's interactions [24 articles] Export Sort

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