Diego_Prada's md_history [27 articles] Export

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	Absolute comparison of simulated and experimental protein-folding dynamics [My Copy] Nature, Vol. 420, No. 6911. (20 October 2002), pp. 102-106. by Christopher D. Snow, Houbi Nguyen, Vijay S. Pande, Martin Gruebele posted to protein_folding md_history by Diego_Prada on 2009-11-25 15:37:49 as along with 3 people doktornoe fjc1 samjlord
	Kemp elimination catalysts by computational enzyme design [My Copy] Nature, Vol. 453, No. 7192. (19 March 2008), pp. 190-195. by Daniela Rothlisberger, Olga Khersonsky, Andrew M. Wollacott, et al.Lin Jiang, Jason DeChancie, Jamie Betker, Jasmine L. Gallaher, Eric A. Althoff, Alexandre Zanghellini, Orly Dym, Shira Albeck, Kendall N. Houk, Dan S. Tawfik, David Baker posted to md md_history by Diego_Prada on 2009-04-05 18:36:59 as along with 12 people and 3 groups barmak7282 baiaixi whitead qbin1304 fralium apaydin jwm msuarezdiez austin cactus neils sobolevnrm Jiang Research Group Biocatalysis and Biotransformation baker-group
	Motifs for molecular recognition exploiting hydrophobic enclosure in protein-ligand binding. [My Copy] Proceedings of the National Academy of Sciences of the United States of America, Vol. 104, No. 3. (16 January 2007), pp. 808-813. by Tom Young, Robert Abel, Byungchan Kim, Bruce J. Berne, Richard A. Friesner posted to md md_history water by Diego_Prada on 2009-04-05 18:33:39 as along with 5 people ubcg08l LamBras daevans jwagoner zwang
	Mechanism of Na+/H+ Antiporting [My Copy] Science, Vol. 317, No. 5839. (10 August 2007), pp. 799-803. by Isaiah T. Arkin, Huafeng Xu, Morten O. Jensen, et al.Eyal Arbely, Estelle R. Bennett, Kevin J. Bowers, Edmond Chow, Ron O. Dror, Michael P. Eastwood, Ravenna Flitman-Tene, Brent A. Gregersen, John L. Klepeis, Istvan Kolossvary, Yibing Shan, David E. Shaw posted to hot md md_history by Diego_Prada on 2009-04-05 18:30:28 as along with 6 people and 1 group allmensch sobolevnrm Jporci MMehrotra LamBras dimka baker-group
	Domain swapping is a consequence of minimal frustration [My Copy] Proceedings of the National Academy of Sciences of the United States of America, Vol. 101, No. 38. (2004), pp. 13786-13791. by Sichun Yang, Samuel S. Cho, Yaakov Levy, et al.Margaret S. Cheung, Herbert Levine, Peter G. Wolynes, José N. Onuchic posted to gnm go md md_history by Diego_Prada on 2009-04-05 18:27:24 as along with 1 person apaydin
	Design of a novel globular protein fold with atomic-level accuracy. [My Copy] Science (New York, N.Y.), Vol. 302, No. 5649. (21 November 2003), pp. 1364-1368. by Brian Kuhlman, Gautam Dantas, Gregory C. Ireton, Gabriele Varani, Barry L. Stoddard, David Baker posted to md md_history by Diego_Prada on 2009-04-05 18:24:02 as along with 10 people bmduggan kgutwin onufriev apaydin dfgreen jwm hmk heymiki kevinchannon ca3295
	THE weighted histogram analysis method for free-energy calculations on biomolecules. I. The method [My Copy] Journal of Computational Chemistry, Vol. 13, No. 8. (1992), pp. 1011-1021. by Shankar Kumar, John M. Rosenberg, Djamal Bouzida, Robert H. Swendsen, Peter A. Kollman posted to free-energy md md_history methods statistical_mechanics stochastic_processes by Diego_Prada on 2009-04-05 18:20:54 as along with 11 people and 1 group jrperillaj edws stephenbond dfgreen A_Coletta_Thesis sunnytov dgront sikorski jwagoner bransfop allmensch Structural Biology Group TorVergata
	Energetics of ion conduction through the K+ channel. [My Copy] Nature, Vol. 414, No. 6859. (1 November 2001), pp. 73-77. by S. Bernèche, B. Roux posted to md md_history by Diego_Prada on 2009-04-05 18:18:36 as along with 2 people and 1 group dimka brocktice TulaneCEP
	Water activity as the determinant for homogeneous ice nucleation in aqueous solutions [My Copy] Nature, Vol. 406 (August 2000), pp. 611-614. by T. koop, B. luo, A. tsias, T. peter posted to md_history water by Diego_Prada on 2009-04-05 17:45:22 as
	Entropy production fluctuation theorem and the nonequilibrium work relation for free energy differences [My Copy] Phys. Rev. E, Vol. 60 (September 1999), pp. 2721-2726. by G. E. crooks posted to md_history out_of_equilibrium statistical_mechanics by Diego_Prada on 2009-04-05 17:44:12 as
	Replica-exchange molecular dynamics method for protein folding [My Copy] Chemical Physics Letters, Vol. 314, No. 1-2. (26 November 1999), pp. 141-151. by Y. Sugita posted to md md_history methods statistical_mechanics stochastic_processes by Diego_Prada on 2009-04-05 17:41:37 as along with 8 people and 1 group chemrahul82 tovrstra oteri Sylvain_Prigent andreasauerwein dgront allmensch rulix Structural Biology Group TorVergata
	Pathways to a protein folding intermediate observed in a 1-microsecond simulation in aqueous solution. [My Copy] Science (New York, N.Y.), Vol. 282, No. 5389. (23 October 1998), pp. 740-744. by Y. Duan, P. A. Kollman posted to md md_history by Diego_Prada on 2009-04-05 17:38:31 as along with 6 people flbarroso doktornoe j3xucite allmensch RamuAnandakrishnan choonpeng
	Unfolding of Titin Immunoglobulin Domains by Steered Molecular Dynamics Simulation [My Copy] Biophysical Journal, Vol. 75, No. 2. (August 1998), pp. 662-671. by H. Lu, B. Isralewitz, A. Krammer, V. Vogel, K. Schulten posted to md md_history by Diego_Prada on 2009-04-05 17:36:40 as along with 1 person yxue
	Contact order, transition state placement and the refolding rates of single domain proteins [My Copy] Journal of Molecular Biology, Vol. 277, No. 4. (10 April 1998), pp. 985-994. by Kevin W. Plaxco, Kim T. Simons, David Baker posted to gnm md_history by Diego_Prada on 2009-04-05 17:33:09 as along with 1 person RamuAnandakrishnan
	Nonequilibrium Equality for Free Energy Differences [My Copy] Physical Review Letters, Vol. 78, No. 14. (7 April 1997), 2690. by C. Jarzynski posted to free-energy md_history out_of_equilibrium by Diego_Prada on 2009-04-05 17:29:27 as along with 4 people bosun cjryan hadesnumb samjlord
	Assembly of protein tertiary structures from fragments with similar local sequences using simulated annealing and bayesian scoring functions [My Copy] Journal of Molecular Biology, Vol. 268, No. 1. (25 April 1997), pp. 209-225. by K. Simons posted to md md_history by Diego_Prada on 2009-04-05 17:26:19 as along with 12 people and 2 groups chemrahul82 paddydu reyez guxiyou ana jwm vavi wouterboomsma j3xucite hmk mijam joule structural_bioinformatics Bioinformatics
	Ligand binding: molecular mechanics calculation of the streptavidin-biotin rupture force. [My Copy] Science, Vol. 271, No. 5251. (16 February 1996), pp. 997-999. by H. Grubmüller, B. Heymann, P. Tavan posted to md md_history by Diego_Prada on 2009-04-05 17:24:31 as along with 2 people TheoBioPhys choonpeng
	Role of hydration and water structure in biological and colloidal interactions [My Copy] Nature, Vol. 379, No. 6562. (18 January 1996), pp. 219-225. by Jacob Israelachvili, Hakan Wennerstrom posted to md md_history water by Diego_Prada on 2009-04-05 17:20:25 as along with 1 person anyscientist
	A method to explore transition paths in macromolecules. Applications to hemoglobin and phosphoglycerate kinase [My Copy] Computer Physics Communications, Vol. 91, No. 1-3. (02 September 1995), pp. 263-273. by C. Guilbert, D. Perahia, L. Mouawad posted to md md_history rmsd by Diego_Prada on 2009-04-05 17:18:35 as along with 1 person oteri
	Accurate simulation of protein dynamics in solution. [My Copy] Proceedings of the National Academy of Sciences of the United States of America, Vol. 85, No. 20. (October 1988), pp. 7557-7561. by M. Levitt, R. Sharon posted to md md_history by Diego_Prada on 2009-04-05 17:15:41 as
	Harmonic dynamics of proteins: normal modes and fluctuations in bovine pancreatic trypsin inhibitor. [My Copy] Proc Natl Acad Sci U S A, Vol. 80, No. 21. (November 1983), pp. 6571-6575. by B. Brooks, M. Karplus posted to gnm md_history by Diego_Prada on 2009-04-05 17:12:49 as along with 5 people mkrishna baaden lna aqeel saravan
	Dynamical theory of activated processes in globular proteins [My Copy] Proceedings of the National Academy of Sciences of the United States of America, Vol. 79, No. 13. (July 1982), pp. 4035-4039. by S. H. Northrup, M. R. Pear, C. Y. Lee, J. A. Mccammon, M. Karplus posted to free-energy md md_history by Diego_Prada on 2009-04-05 17:10:15 as
	A geometric approach to macromolecule-ligand interactions. [My Copy] J Mol Biol, Vol. 161, No. 2. (25 October 1982), pp. 269-288. by I. D. Kuntz, J. M. Blaney, S. J. Oatley, R. Langridge, T. E. Ferrin posted to md_history by Diego_Prada on 2009-04-05 17:07:39 as along with 3 people dfgreen BragilMassoud kazemi
	Dynamics of ligand binding to heme proteins [My Copy] Journal of Molecular Biology, Vol. 132, No. 3. (15 August 1979), pp. 343-368. by D. A. Case, M. Karplus posted to md md_history by Diego_Prada on 2009-04-05 17:04:14 as along with 1 person ruvido
	Thermodynamic fluctuations in protein molecules [My Copy] Proceedings of the National Academy of Sciences of the United States of America, Vol. 73, No. 8. (August 1976), pp. 2740-2741. by A. Cooper posted to md_history statistical_mechanics stochastic_processes by Diego_Prada on 2009-04-05 17:01:23 as
	Computer simulation of protein folding [My Copy] Nature, Vol. 253, No. 5494. (27 February 1975), pp. 694-698. by Michael Levitt, Arieh Warshel posted to md md_history by Diego_Prada on 2009-04-05 16:57:56 as
	Equation of State Calculations by Fast Computing Machines [My Copy] The Journal of Chemical Physics, Vol. 21, No. 6. (1953), pp. 1087-1092. by Nicholas Metropolis, Arianna W. Rosenbluth, Marshall N. Rosenbluth, Augusta H. Teller, Edward Teller posted to mc md md_history by Diego_Prada on 2009-04-05 16:52:28 as along with 26 people eyliu zhaidong philipppixel iantunbridge wei flbarroso LGNR mcbla mrkn jjray muraken scalptob ppeeling gale82 Jarosik apostola chad_davis tobin mkurc rabio gcalda Akimasa Bc91 guxiyou petermilner naegele

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free-energy	96
chapt_cmn	69
networks	66
short-peptides	63
hexapeptide	48
plos	47
md	41
communities	38
markov	35
stochastic_processes	34
protein_folding	33
gnm	32
cmn	31
protein_dynamics	31
pca	30
amino	28
amyloids	27
dialanine	27
md_history	27
methods	27
transition_path	26
articulo	21
complex_systems	21
coarse-grained	18
beta-hairpin	16
hp_model	16
dpca	15
proteins	15
force-fields	13
reaction_paths	13
water	13
chapt_amino	12
statistical_mechanics	12
transition_states	10
clustering	8
experimental	8
first_passage	8
markov_state_models	7
problems_fel_dof	7
active_site	6
glass_transition	6
mutual-information	6
rmsd	6
sampling	6
secondary_structure	6
struct_decorr	6
collective_motions	5
glycine	5
hot	5
kramers	5
langevin	5
mios	5
out_of_equilibrium	5
review	5
allostery	4
entropy	4
kinetic_models	4
mc	4
percolation	4
qha	4
alanine	3
dihedral	3
energy_landscape	3
rol_nodes	3
work_theorem	3
ala5	2
bayesian_analysis	2
conformational_entropy	2
fca	2
funnels	2
go	2
information	2
irreversibility	2
lanvegin	2
leas_action	2
non_markovian	2
probability_distributions	2
statistics	2
wavelets	2
aggregation	1
chain_interactions	1
discrete_breathers	1
enkaphalin	1
fibril_formation	1
flagellum	1
fre	1
hurst_exponent	1
information_theory	1
latex	1
mpi	1
nmr	1
nonequilibrium	1
opls	1
pendiente	1
protein_flexibility	1
relaxation_processes	1
statistical_models	1
t_dependence	1
temperature_dependence	1

Diego_Prada's md_history [27 articles] Export

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