Group: Structural Biology Group TorVergata - with tag no-tag [39 articles] Export Sort

Recent papers posted by members of the Structural Biology Group TorVergata group with tag no-tag

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	Bcl-2 family-mediated apoptotic effects of 3,3′-diindolylmethane (DIM) in human breast cancer cells [My Copy] Biochemical Pharmacology, Vol. 63, No. 6. (15 March 2002), pp. 1085-1097. by C. Hong, G. Firestone, L. Bjeldanes posted to no-tag by A_Coletta_Thesis to the group Structural Biology Group TorVergata on 2009-07-14 14:39:13 as
	mmLib Python toolkit for manipulating annotated structural models of biological macromolecules [My Copy] Journal of Applied Crystallography, Vol. 37, No. 1. (Feb 2004), pp. 174-178. by Jay Painter, Ethan A. Merritt posted to no-tag by oteri to the group Structural Biology Group TorVergata on 2009-07-02 18:24:13 as
	Assessment of standard force field models against high-quality <I>ab initio</I> potential curves for prototypes of pi-pi, CH/pi, and SH/pi interactions [My Copy] Journal of Computational Chemistry, Vol. 30, No. 14. (2009), pp. 2187-2193. by C. David Sherrill, Bobby G. Sumpter, Mutasem O. Sinnokrot, et al.Michael S. Marshall, Edward G. Hohenstein, Ross C. Walker, Ian R. Gould posted to no-tag by oteri to the group Structural Biology Group TorVergata on 2009-05-03 22:20:56 as along with 1 person RamuAnandakrishnan
	Some Fundamental Issues in Ground-State Density Functional Theory: A Guide for the Perplexed [My Copy] Journal of Chemical Theory and Computation, Vol. 5, No. 4. (14 April 2009), pp. 902-908. by John P. Perdew, Adrienn Ruzsinszky, Lucian A. Constantin, Jianwei Sun, Gábor I. Csonka posted to no-tag by A_Coletta_Thesis to the group Structural Biology Group TorVergata on 2009-04-22 11:47:04 as along with 2 people softsimu Fortran
	Oxidized low-density lipoprotein receptor, LOX-1, on the endothelial cell – The receptor structure and functions of LOX-1 in atherogenesis [My Copy] posted to no-tag by oteri to the group Structural Biology Group TorVergata on 2009-04-14 21:47:10 as along with 1 group LOX-1 Receptor
	Experimental Evaluation of Molecular Dynamics Simulations on Multi-core Systems [My Copy] High Performance Computing - HiPC 2008 (2008), pp. 131-141. by Sadaf Alam, Pratul Agarwal, Scott Hampton, Hong Ong posted to no-tag by oteri to the group Structural Biology Group TorVergata on 2009-04-14 21:32:41 as
	Open-architecture Implementation of Fragment Molecular Orbital Method for Peta-scale Computing [My Copy] (11 Jan 2007) by Toshiya Takami, Jun Maki, Jun-Ichi Ooba, et al.Yuichi Inadomi, Hiroaki Honda, Taizo Kobayashi, Rie Nogita, Mutsumi Aoyagi posted to no-tag by oteri to the group Structural Biology Group TorVergata on 2009-04-13 14:37:20 as
	An object-oriented library for computational protein design [My Copy] posted to no-tag by oteri to the group Structural Biology Group TorVergata on 2009-04-08 15:54:13 as
	Homology Model [My Copy] posted to no-tag by oteri to the group Structural Biology Group TorVergata on 2009-04-03 17:42:01 as
	Structural biology of plasmid partition: uncovering the molecular mechanisms of DNA segregation [My Copy] Biochem. J., No. 412. (2008), pp. 1-18. by M. A. Schumacher posted to no-tag by oteri to the group Structural Biology Group TorVergata on 2009-03-26 20:54:32 as
	Conformational changes and flexibility in T-cell receptor recognition of peptide–MHC complexes [My Copy] Biochem. J., No. 415., pp. 183-196. by K. M. Armstrong, K. H. Piepenbrink, B. M. Baker posted to no-tag by oteri to the group Structural Biology Group TorVergata on 2009-03-26 20:52:35 as
	Structure, mechanism and regulation of pyruvate carboxylase [My Copy] Biochem. J, Vol. 413 (2008), pp. 369-387. by S. Jitrapakdee posted to no-tag by oteri to the group Structural Biology Group TorVergata on 2009-03-26 20:50:23 as
	The long coming of computational structural biology [My Copy] Journal of Structural Biology, Vol. 163, No. 3. (September 2008), pp. 254-257. by A. Lupas posted to no-tag by oteri to the group Structural Biology Group TorVergata on 2009-02-20 17:32:18 as along with 2 people and 1 group stharward zwang psique personal
	Simulation of DNA electrophoresis in systems of large number of solvent particles by coarse-grained hybrid molecular dynamics approac [My Copy] posted to no-tag by oteri to the group Structural Biology Group TorVergata on 2009-02-04 18:05:14 as
	vGNM: A Better Model for Understanding the Dynamics of Proteins in Crystals [My Copy] posted to no-tag by oteri to the group Structural Biology Group TorVergata on 2009-02-04 15:29:04 as
	Principles of docking: An overview of search algorithms and a guide to scoring functions. [My Copy] Proteins, Vol. 47, No. 4. (1 June 2002), pp. 409-443. by Inbal Halperin, Buyong Ma, Haim Wolfson, Ruth Nussinov posted to no-tag by oteri to the group Structural Biology Group TorVergata on 2009-02-03 18:01:44 as along with 25 people and 3 groups rabio ucbcjbm flbarroso csrocha timg dgruiz cantupaz apaydin bicko chad_davis yongzhao ttjoseph nickolay ima sangeetha dgront blackbart gane5h mmuecke kazemi bpagano massivemayhem cjeans Evangelia nigham Bioinformatics TSRI_MGL insilicodrug
	Recent Progress and Future Directions in Protein-Protein Docking [My Copy] Current Protein and Peptide Science, Vol. 9, No. 1. (February 2008), pp. 1-15. by David W. Ritchie posted to no-tag by oteri to the group Structural Biology Group TorVergata on 2009-02-03 17:33:21 as along with 4 people rabio HawkinsJohnC TobiasAbenius timg
	Open-architecture Implementation of Fragment Molecular Orbital Method for Peta-scale Computing [My Copy] posted to no-tag by oteri to the group Structural Biology Group TorVergata on 2009-02-01 19:39:21 as
	Accelerating Computational Biology by 100x Using CUDA [My Copy] posted to no-tag by oteri to the group Structural Biology Group TorVergata on 2009-02-01 12:44:10 as
	NAMD & cuda [My Copy] posted to no-tag by oteri to the group Structural Biology Group TorVergata on 2009-02-01 12:39:13 as
	Engineering a Function into a Glycosyltransferase [My Copy] posted to no-tag by oteri to the group Structural Biology Group TorVergata on 2009-01-30 18:57:30 as
	Mass-weighted molecular dynamics simulation and conformational analysis of polypeptide [My Copy] Biophysical Journal, Vol. 60, No. 3. (September 1991), pp. 611-622. by B. Mao posted to no-tag by oteri to the group Structural Biology Group TorVergata on 2009-01-28 10:53:49 as
	Assessing equilibration and convergence in biomolecular simulations. [My Copy] Proteins, Vol. 48, No. 3. (15 August 2002), pp. 487-496. by Lorna J. Smith, Xavier Daura, Wilfred F. van Gunsteren posted to no-tag by oteri to the group Structural Biology Group TorVergata on 2009-01-28 10:52:34 as along with 3 people and 1 group bmduggan sobolevnrm mleis baker-group
	Equilibration of experimentally determined protein structures for molecular dynamics simulation. [My Copy] posted to no-tag by oteri to the group Structural Biology Group TorVergata on 2009-01-28 10:50:49 as
	Flexible Fitting of High-Resolution X-Ray Structures into Cryoelectron Microscopy Maps Using Biased Molecular Dynamics Simulations [My Copy] Biophysical Journal posted to no-tag by oteri to the group Structural Biology Group TorVergata on 2009-01-28 10:44:20 as
	An innovative approach for testing bioinformatics programs using metamorphic testing [My Copy] BMC Bioinformatics, Vol. 10, No. 1. (2009) by Tsong Y. Chen, Joshua Ho, Huai Liu, Xiaoyuan Xie posted to no-tag by oteri to the group Structural Biology Group TorVergata on 2009-01-27 19:54:27 as along with 10 people rdiaz lptolik guhjy nuin druvus pkonings kshameer jmeppley barriot agbiotec
	Can molecular dynamics simulations help in discriminating correct from erroneous protein 3D models? [My Copy] BMC Bioinformatics, Vol. 9 (07 January 2008), 6. by Jean-Francois Taly, Antoine Marin, Jean-Francois Gibrat posted to no-tag by oteri to the group Structural Biology Group TorVergata on 2009-01-15 14:30:55 as along with 2 people biehl LamBras
	Novel Druggable Hot Spots in Avian Influenza Neuraminidase H5N1 Revealed by Computational Solvent Mapping of a Reduced and Representative Receptor Ensemble [My Copy] posted to no-tag by oteri to the group Structural Biology Group TorVergata on 2009-01-14 12:59:53 as
	Interfacing neurons with carbon nanotubes: electrical signal transfer and synaptic stimulation in cultured brain circuits. [My Copy] J Neurosci, Vol. 27, No. 26. (27 June 2007), pp. 6931-6936. by A. Mazzatenta, M. Giugliano, S. Campidelli, et al.L. Gambazzi, L. Businaro, H. Markram, M. Prato, L. Ballerini posted to no-tag by oteri to the group Structural Biology Group TorVergata on 2009-01-05 19:54:39 as along with 2 people tkf fbaroni
	Paircoil2: improved prediction of coiled coils from sequence [My Copy] Bioinformatics, Vol. 22, No. 3. (1 February 2006), pp. 356-358. by A. V. McDonnell, T. Jiang, A. E. Keating, B. Berger posted to no-tag by oteri to the group Structural Biology Group TorVergata on 2008-12-31 10:05:19 as along with 1 person TLVincent
	Dissociation of minor groove binders from DNA: insights from metadynamics simulations. [My Copy] Nucleic acids research, Vol. 36, No. 18. (October 2008), pp. 5910-5921. by A. V. Vargiu, P. Ruggerone, A. Magistrato, P. Carloni posted to no-tag by A_Coletta_Thesis to the group Structural Biology Group TorVergata on 2008-12-27 17:12:23 as
	Do rotamer libraries reproduce the side-chain conformations of peptidic ligands from the PDB? [My Copy] Journal of Molecular Graphics and Modelling, Vol. 27, No. 5. (17 January 2009), pp. 611-619. by A. Pupo, E. Moreno posted to no-tag by oteri to the group Structural Biology Group TorVergata on 2008-12-22 16:12:49 as along with 2 people carlosjavierna sschurer
	Molecular simulations of lipid mediated protein-protein interactions [My Copy] Biophys. J. (16 May 2008), biophysj.107.124164. by Frederick J. de Meyer, Maddalena Venturoli, Berend Smit posted to no-tag by oteri to the group Structural Biology Group TorVergata on 2008-12-19 14:49:48 as along with 3 people choonpeng paulschlesinger agrossfield
	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 no-tag by A_Coletta_Thesis to the group Structural Biology Group TorVergata on 2008-12-16 14:39:38 as along with 11 people jrperillaj edws Diego_Prada stephenbond dfgreen sunnytov dgront sikorski jwagoner bransfop allmensch
	Thr729 in human topoisomerase I modulates anti-cancer drug resistance by altering protein domain communications as suggested by molecular dynamics simulations [My Copy] Nucl. Acids Res., Vol. 36, No. 17. (1 October 2008), pp. 5645-5651. by Giovanni Chillemi, Ilda D'Annessa, Paola Fiorani, Carmen Losasso, Piero Benedetti, Alessandro Desideri posted to no-tag by oteri to the group Structural Biology Group TorVergata on 2008-12-11 17:22:51 as along with 1 person A_Coletta_Thesis
	Combining docking and molecular dynamic simulations in drug design. [My Copy] Med Res Rev (6 June 2006) by Hernán Alonso, Andrey A A. Bliznyuk, Jill E E. Gready posted to no-tag by oteri to the group Structural Biology Group TorVergata on 2008-12-10 13:41:45 as along with 8 people and 1 group karinaecomp flbarroso hryk A_Coletta_Thesis aqeel yongzhao kazemi LamBras TSRI_MGL
	Fuzzy cluster analysis of molecular dynamics trajectories [My Copy] Proteins: Structure, Function, and Genetics, Vol. 14, No. 2. (1992), pp. 249-264. by Heather L. Gordon, Rajmund L. Somorjai posted to no-tag by oteri to the group Structural Biology Group TorVergata on 2008-12-09 12:03:13 as
	Docking study and free energy simulation of the complex between p53 DNA-binding domain and azurin [My Copy] J. Mol. Recognit, Vol. 20 (2007), pp. 215-226. by Valentina De Grandis, Anna R. Bizzarri, Salvatore Cannistraro posted to no-tag by oteri to the group Structural Biology Group TorVergata on 2008-12-09 11:20:16 as
	Scalable Parallel Clustering for Data Mining on Multicomputers [My Copy] by D. Foti, D. Lipari, C. Pizzuti, D. Talia posted to no-tag by oteri to the group Structural Biology Group TorVergata on 2008-12-09 10:43:09 as

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Group: Structural Biology Group TorVergata

Group: Structural Biology Group TorVergata - with tag no-tag [39 articles] Export Sort

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