pmung's library 26 articles Export

	Computational design of ligand binding is not a solved problem [My Copy] Proceedings of the National Academy of Sciences, Vol. 106, No. 44. (3 November 2009), pp. 18491-18496. by Bettina Schreier, Christian Stumpp, Silke Wiesner, Birte HÃ¶cker posted to nov09 computational_design binding_protein by pmung on 2009-11-04 08:25:59 as along with 3 people reyez zwang carlosjavierna
	An Evaluation of Explicit Receptor Flexibility in Molecular Docking Using Molecular Dynamics and Torsion Angle Molecular Dynamics [My Copy] Journal of Chemical Theory and Computation, Vol. 5, No. 10. (13 October 2009), pp. 2909-2923. by Roger S. Armen, Jianhan Chen, Charles L. Brooks posted to torsion_angle receptor_flexibility nov09 molecular_dynamics_simulations docking by pmung on 2009-11-04 02:10:39 as
	Simulated Tempering Distributed Replica Sampling, Virtual Replica Exchange, and Other Generalized-Ensemble Methods for Conformational Sampling [My Copy] Journal of Chemical Theory and Computation, Vol. 5, No. 10. (13 October 2009), pp. 2640-2662. by Sarah Rauscher, Chris Neale, Régis Pomès posted to replica_exchange nov09 ensemble_methods conformational_sampling by pmung on 2009-11-04 02:07:38 as
	Automated Event Detection and Activity Monitoring in Long Molecular Dynamics Simulations [My Copy] Journal of Chemical Theory and Computation, Vol. 5, No. 10. (13 October 2009), pp. 2595-2605. by Willy Wriggers, Kate A. Stafford, Yibing Shan, et al.Stefano Piana, Paul Maragakis, Kresten Lindorff-Larsen, Patrick J. Miller, Justin Gullingsrud, Charles A. Rendleman, Michael P. Eastwood, Ron O. Dror, David E. Shaw posted to nov09 molecular_dynamics_simulations event_detection automated by pmung on 2009-11-04 01:24:52 as
	Conformational Sampling of Druglike Molecules with MOE and Catalyst: Implications for Pharmacophore Modeling and Virtual Screening [My Copy] Journal of Chemical Information and Modeling, Vol. 48, No. 9. (22 September 2008), pp. 1773-1791. by I-Jen Chen, Nicolas Foloppe posted to sampling pharmacophore nov09 moe conformation catalyst by pmung on 2009-11-04 00:06:13 as along with 1 person thanatos
	AMBER force-field parameters for phosphorylated amino acids in different protonation states: phosphoserine, phosphothreonine, phosphotyrosine, and phosphohistidine [My Copy] Journal of Molecular Modeling, Vol. 12, No. 3. (1 February 2006), pp. 281-289. by Nadine Homeyer, Anselm Horn, Harald Lanig, Heinrich Sticht posted to template_libraries parameter_files molecular_dynamics_simulations initio_calculations amino_acids by pmung on 2009-10-22 16:52:11 as along with 2 people pavanghatty GermanErlenkamp
	Fast screening of protein surfaces using geometric invariant fingerprints [My Copy] Proceedings of the National Academy of Sciences, Vol. 106, No. 39. (29 September 2009), pp. 16622-16626. by Shuangye Yin, Elizabeth A. Proctor, Alexey A. Lugovskoy, Nikolay V. Dokholyan posted to protein_surfaces protein_data_bank interface_design fingerprint_comparison by pmung on 2009-10-07 06:20:21 as
	Rational design of Tamiflu derivatives targeting at the open conformation of neuraminidase subtype 1 [My Copy] Journal of Molecular Graphics and Modelling, Vol. 28, No. 3. (11 October 2009), pp. 203-219. by Yan Li, Bingcheng Zhou, Renxiao Wang posted to open_conformation fragment_based drug_design by pmung on 2009-10-06 22:09:00 as
	Quantifying Correlations Between Allosteric Sites in Thermodynamic Ensembles [My Copy] Journal of Chemical Theory and Computation, Vol. 5, No. 9. (8 September 2009), pp. 2486-2502. by Christopher L. McClendon, Gregory Friedland, David L. Mobley, Homeira Amirkhani, Matthew P. Jacobson posted to molecular_simulation correlations allostery by pmung on 2009-10-06 16:13:35 as along with 3 people and 1 group jmccammon anuragsethi acpan McCammon
	Combining an Elastic Network With a Coarse-Grained Molecular Force Field: Structure, Dynamics, and Intermolecular Recognition [My Copy] Journal of Chemical Theory and Computation, Vol. 5, No. 9. (8 September 2009), pp. 2531-2543. by Xavier Periole, Marco Cavalli, Siewert-Jan Marrink, Marco A. Ceruso posted to network elastic by pmung on 2009-10-06 16:10:35 as along with 3 people and 2 groups TonyIvetac okapi A_Coletta_Thesis McCammon Structural Biology Group TorVergata
	Docking Ligands on Protein Surfaces: The Case Study of Prion Protein‡ [My Copy] Journal of Chemical Theory and Computation, Vol. 5, No. 9. (8 September 2009), pp. 2565-2573. by Agata Kranjc, Salvatore Bongarzone, Giulia Rossetti, et al.Xevi Biarnés, Andrea Cavalli, Maria L. Bolognesi, Marinella Roberti, Giuseppe Legname, Paolo Carloni posted to nmr_measurements molecular_simulation docking by pmung on 2009-10-05 19:47:13 as
	Towards the development of universal, fast and highly accurate docking/scoring methods: a long way to go [My Copy] British Journal of Pharmacology, Vol. 153, No. S1. (March 2008), pp. S7-S26. by N. Moitessier, P. Englebienne, D. Lee, J. Lawandi, C. R. Corbeil posted to scoring consensus by pmung on 2009-09-14 19:12:56 as
	How to obtain statistically converged MM/GBSA results [My Copy] Journal of Computational Chemistry, Vol. 9999, No. 9999. (2009), NA. by Samuel Genheden, Ulf Ryde posted to mm-pbsa by pmung on 2009-09-09 15:26:54 as along with 3 people and 1 group barry sobolevnrm RamuAnandakrishnan McCammon
	Targeting a bacterial stress response to enhance antibiotic action [My Copy] Proceedings of the National Academy of Sciences, Vol. 106, No. 34. (25 August 2009), pp. 14570-14575. by Samuel Lee, Aaron Hinz, Elizabeth Bauerle, et al.Angus Angermeyer, Katy Juhaszova, Yukihiro Kaneko, Pradeep K. Singh, Colin Manoil posted to enhance antibactics by pmung on 2009-09-08 05:28:10 as
	Coarse-grained modeling of allosteric regulation in protein receptors [My Copy] Proceedings of the National Academy of Sciences, Vol. 106, No. 34. (25 August 2009), pp. 14253-14258. by Ilya A. Balabin, Weitao Yang, David N. Beratan posted to signaling_pathways grained coarse allostery by pmung on 2009-09-08 02:57:58 as along with 4 people and 1 group sobolevnrm jmccammon agrossfield okapi McCammon
	Cation specific binding with protein surface charges [My Copy] Proceedings of the National Academy of Sciences, Vol. 106, No. 32. (11 August 2009), pp. 13296-13300. by Berk Hess, Nico F. A. van der Vegt posted to protein molecular ion dynamics by pmung on 2009-09-08 02:29:46 as
	Nucleotide-dependent conformational states of actin [My Copy] Proceedings of the National Academy of Sciences, Vol. 106, No. 31. (4 August 2009), pp. 12723-12728. by Jim Pfaendtner, Davide Branduardi, Michele Parrinello, Thomas D. Pollard, Gregory A. Voth posted to nucleotide conformation actin by pmung on 2009-09-08 01:54:27 as along with 3 people and 2 groups okapi anuragsethi barry structural_bioinformatics McCammon
	Flaviviral Protease Inhibitors Identified by Fragment-Based Library Docking into a Structure Generated by Molecular Dynamics [My Copy] Journal of Medicinal Chemistry, Vol. 52, No. 15. (13 August 2009), pp. 4860-4868. by Dariusz Ekonomiuk, Xun-Cheng Su, Kiyoshi Ozawa, et al.Christophe Bodenreider, Siew P. Lim, Gottfried Otting, Danzhi Huang, Amedeo Caflisch posted to no-tag by pmung on 2009-08-26 21:02:12 as along with 3 people and 1 group ubcg08l jmccammon carlosjavierna McCammon
	Conformational selection or induced fit: A flux description of reaction mechanism [My Copy] Proceedings of the National Academy of Sciences, Vol. 106, No. 33. (18 August 2009), pp. 13737-13741. by Gordon G. Hammes, Yu-Chu Chang, Terrence G. Oas posted to induced fit conformation by pmung on 2009-08-26 21:00:48 as along with 5 people and 1 group okapi chemrahul82 xdeupi anuragsethi barry McCammon
	A Quick Guide to Organizing Computational Biology Projects [My Copy] PLoS Comput Biol, Vol. 5, No. 7. (31 July 2009), e1000424. by William S. Noble posted to biology computational by pmung on 2009-08-05 04:59:06 as along with 60 people and 7 groups annakcroft brianb nuin skembel pekrau Sergey_gerbek mordiano remoteFuture Yanno aaltenburger marekrud guhjy dolchan frohike operon CorinYeats artaban421 antonkratz tomhebbron maren bayesian daveGerrard JoeBanks jcaddy somak bertelsen ptrobajo nperoni daforerog mmwoodman charris5 GustavoLacerda pmendes fgibson rdiaz Zephyrus heliopais franklu310 lmichan silberbauer leemond31 jlangdon robfsouza Stew reyez kshameer djkt pawelsobko jjray dswan apaydin renatomilani VGreiff cabbagesofdoom wei_tang fenghezi cisevol barry sdaehne druvus Pedro Martinez EvoDevo lab Barcelona Orengo Group Journal Picks Bioinformatics - CRUK ccsbs BergmanLab structural_bioinformatics McCammon
	Drug discovery chemistry: a primer for the non-specialist. [My Copy] Drug discovery today, Vol. 14, No. 15-16. (2 August 2009), pp. 731-744. by Allan M. Jordan, Stephen D. Roughley posted to chemistry discovery drug by pmung on 2009-08-05 04:57:30 as along with 4 people and 1 group richardbickerton zimbo1 jerome jmccammon McCammon
	Replica exchange with nonequilibrium switches [My Copy] Proceedings of the National Academy of Sciences, Vol. 106, No. 30. (28 July 2009), pp. 12224-12229. by Andrew J. Ballard, Christopher Jarzynski posted to exchange replica by pmung on 2009-08-05 04:48:58 as along with 2 people agrossfield joshBerryman
	Comparison of computational approaches for predicting the effects of missense mutations on p53 function [My Copy] Journal of Molecular Graphics and Modelling, Vol. 27, No. 8. (27 June 2009), pp. 978-982. by Lillian T. Chong, Jed W. Pitera, William C. Swope, Vijay S. Pande posted to bioinformatics p53 by pmung on 2009-08-05 04:47:21 as
	Structure and assembly of immature HIV [My Copy] Proceedings of the National Academy of Sciences, Vol. 106, No. 27. (7 July 2009), pp. 11090-11095. by J. A. G. Briggs, J. D. Riches, B. Glass, V. Bartonova, G. Zanetti, H. G. Kräusslich posted to assembly capsid contrast cryoelectron function hiv retrovirus structure tomography transfer by pmung on 2009-08-05 04:34:05 as along with 4 people and 1 group memerman dawnsong wsjames carlosjavierna Oxford Virology
	Nature of the protein universe [My Copy] Proceedings of the National Academy of Sciences, Vol. 106, No. 27. (7 July 2009), pp. 11079-11084. by Michael Levitt posted to bioinformatics protein structure universe by pmung on 2009-08-05 04:29:29 as along with 9 people and 1 group martainn ldiambra VGreiff carlosjavierna philcarter TRHvidsten paulschlesinger apaydin renatomilani Orengo Group Journal Picks
	Identification of a consensus motif in substrates bound by a Type I Hsp40 [My Copy] Proceedings of the National Academy of Sciences, Vol. 106, No. 27. (7 July 2009), pp. 11073-11078. by Pradeep Kota, Daniel W. Summers, Hong-Yu Ren, Douglas M. Cyr, Nikolay V. Dokholyan posted to cochaperone crystal dnaj structure by pmung on 2009-08-05 04:25:29 as

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nov09	5
conformation	3
molecular_dynamics_simulations	3
structure	3
allostery	2
bioinformatics	2
docking	2
molecular_simulation	2
protein	2
actin	1
amino_acids	1
antibactics	1
assembly	1
automated	1
binding_protein	1
biology	1
capsid	1
catalyst	1
chemistry	1
coarse	1
cochaperone	1
computational	1
computational_design	1
conformational_sampling	1
consensus	1
contrast	1
correlations	1
cryoelectron	1
crystal	1
discovery	1
dnaj	1
drug	1
drug_design	1
dynamics	1
elastic	1
enhance	1
ensemble_methods	1
event_detection	1
exchange	1
fingerprint_comparison	1
fit	1
fragment_based	1
function	1
grained	1
hiv	1
induced	1
initio_calculations	1
interface_design	1
ion	1
mm-pbsa	1
moe	1
molecular	1
network	1
nmr_measurements	1
nucleotide	1
open_conformation	1
p53	1
parameter_files	1
pharmacophore	1
protein_data_bank	1
protein_surfaces	1
receptor_flexibility	1
replica	1
replica_exchange	1
retrovirus	1
sampling	1
scoring	1
signaling_pathways	1
template_libraries	1
tomography	1
torsion_angle	1
transfer	1
universe	1

pmung's library 26 articles Export

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