LamBras's flexibility [61 articles] Export

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

	Sulfide-Binding Hemoglobins: Effects of Mutations on Active-Site Flexibility [My Copy] Biophysical Journal, Vol. 91, No. 5. (01 September 2006), pp. 1698-1709. by S. Fernandezalberti, D. Bacelo, R. Binningjr, J. Echave, M. Chergui, J. Lopezgarriga posted to flexibility md by LamBras on 2009-03-13 18:38:22 as
	Subtype selectivity and flexibility of ionotropic glutamate receptors upon antagonist ligand binding [My Copy] Org. Biomol. Chem., Vol. 4, No. 6. (2006), pp. 1058-1070. by Ulla Pentikainen, Luca Settimo, Mark S. Johnson, Olli T. Pentikainen posted to flexibility nmda by LamBras on 2008-12-20 17:12:27 as
	Flexible Side Chain Models Improve Enrichment Rates in In Silico Screening [My Copy] J. Med. Chem. (5 September 2008) by Daria B. Kokh, Wolfgang Wenzel posted to flexibility sidechain virtual_screening by LamBras on 2008-11-05 08:55:38 as along with 1 person reyez
	Furan-2-ylmethylene Thiazolidinediones as Novel, Potent, and Selective Inhibitors of Phosphoinositide 3-Kinase γ [My Copy] J. Med. Chem., Vol. 49, No. 13. (29 June 2006), pp. 3857-3871. by V. Pomel, J. Klicic, D. Covini, et al.D. D. Church, J. P. Shaw, K. Roulin, F. Burgat-Charvillon, D. Valognes, M. Camps, C. Chabert, C. Gillieron, B. Francon, D. Perrin, D. Leroy, D. Gretener, A. Nichols, P. A. Vitte, S. Carboni, C. Rommel, M. K. Schwarz, T. Ruckle posted to docking flexibility induced_fit scoring virtual_screening by LamBras on 2008-10-14 16:44:33 as
	Novel Procedure for Modeling Ligand/Receptor Induced Fit Effects [My Copy] Journal of Medicinal Chemistry, Vol. 49, No. 2. (1 January 2006), pp. 534-553. by Woody Sherman, Tyler Day, Matthew P. Jacobson, Richard A. Friesner, Ramy Farid posted to docking flexibility scoring sidechain virtual_screening by LamBras on 2008-09-22 18:17:08 as along with 7 people and 1 group klexa sschurer cen4ik BragilMassoud yongzhao daevans kazemi TSRI_MGL
	Role of protein flexibility in the design of Bcl-X(L) targeting agents: insight from molecular dynamics. [My Copy] Journal of computer-aided molecular design (9 September 2008) by William Novak, Hongming Wang, Goran Krilov posted to flexibility free_energy md by LamBras on 2008-09-16 12:47:10 as along with 2 people paulschlesinger higueruelo
	Principles of flexible protein-protein docking [My Copy] Proteins: Structure, Function, and Bioinformatics, Vol. 73, No. 2. (2008), pp. 271-289. by Nelly Andrusier, Efrat Mashiach, Ruth Nussinov, Haim J. Wolfson posted to docking flexibility review by LamBras on 2008-09-16 12:33:50 as along with 3 people and 1 group bicko aqeel csrocha structural_bioinformatics
	Target Flexibility: An Emerging Consideration in Drug Discovery and Design [My Copy] Journal of Medicinal Chemistry (2008) by Pietro Cozzini, Glen E. Kellogg, Francesca Spyrakis, et al.Donald J. Abraham, Gabriele Costantino, Andrew Emerson, Francesca Fanelli, Holger Gohlke, Leslie A. Kuhn, Garrett M. Morris, Modesto Orozco, Thelma A. Pertinhez, Menico Rizzi, Christoph A. Sotriffer posted to drugdesign flexibility review by LamBras on 2008-09-16 10:26:15 as
	Protein flexibility and drug design: how to hit a moving target [My Copy] Current Opinion in Chemical Biology, Vol. 6, No. 4. (1 August 2002), pp. 447-452. by Heather A. Carlson posted to flexibility by LamBras on 2008-07-28 16:13:29 as along with 1 person and 1 group yongzhao TSRI_MGL
	An improved relaxed complex scheme for receptor flexibility in computer-aided drug design. [My Copy] J Comput Aided Mol Des (15 January 2008) by Rommie E. Amaro, Riccardo Baron, J A. McCammon posted to docking flexibility md by LamBras on 2008-07-04 11:00:17 as along with 6 people and 2 groups karinaecomp oteri jmccammon rbaron higueruelo kazemi Structural Biology Group TorVergata McCammon
	Protein–ligand docking with multiple flexible side chains [My Copy] Journal of Computer-Aided Molecular Design by Yong Zhao, Michel Sanner posted to docking flexibility by LamBras on 2008-07-04 10:59:02 as
	Characterization of Protein Conformational States by Normal-Mode Frequencies [My Copy] J. Am. Chem. Soc. (23 August 2007) by B. A. Hall, S. L. Kaye, A. Pang, R. Perera, P. C. Biggin posted to flexibility normal_modes proteins by LamBras on 2008-04-25 14:35:56 as along with 7 people and 3 groups Diego_Prada Scis0000002 ubcg08l barry aqeel choonpeng sobolevnrm structural_bioinformatics Bioinformatics baker-group
	Intrinsic dynamics of enzymes in the unbound state and relation to allosteric regulation [My Copy] Current Opinion in Structural Biology In Catalysis and regulation / Proteins, Vol. 17, No. 6. (December 2007), pp. 633-640. by Ivet Bahar, Chakra Chennubhotla, Dror Tobi posted to allosteric flexibility md by LamBras on 2008-04-25 14:35:05 as along with 10 people and 4 groups allmensch jrperillaj barry aqeel ruvido cactus sobolevnrm jennifermbui higueruelo jmccammon structural_bioinformatics Bioinformatics baker-group McCammon
	Molecular dynamics simulations of ligand-induced backbone conformational changes in the binding site of the periplasmic lysine-, arginine-, ornithine-binding protein [My Copy] Journal of Computer-Aided Molecular Design by Ami Yang, Ricardo Mancera posted to flexibility md by LamBras on 2008-04-24 15:31:32 as along with 1 person zimbo1
	Hierarchical and multi-resolution representation of protein flexibility [My Copy] Bioinformatics (2006) by Yong Zhao, Daniel Stoffler, Michel Sanner posted to flexibility by LamBras on 2008-03-15 16:27:12 as
	FLIPDock: Docking flexible ligands into flexible receptors [My Copy] Proteins (2007) by Yong Zhao, Michel F. Sanner posted to docking flexibility by LamBras on 2008-03-15 16:27:12 as
	Side-chain flexibility in protein-ligand binding: the minimal rotation hypothesis [My Copy] Protein Sci, Vol. 14, No. 4. (2005), pp. 1104-1114. by M. I. Zavodszky, L. A. Kuhn posted to flexibility sidechain by LamBras on 2008-03-15 16:27:12 as
	Flexibility analysis of enzyme active sites by crystallographic temperature factors [My Copy] Protein Eng., Vol. 16, No. 2. (2003), pp. 109-114. by Zheng Yuan, Ju Zhao, Zhi X. Wang posted to flexibility xray by LamBras on 2008-03-15 16:27:12 as
	Flexible protein-ligand docking by global energy optimization in internal coordinates [My Copy] Proteins, Vol. Suppl 1 (1997), pp. 215-220. by M. Totrov, R. Abagyan posted to flexibility by LamBras on 2008-03-15 16:27:12 as
	Protein flexibility and dynamics using constraint theory [My Copy] J Mol Graph Model, Vol. 19, No. 1. (2001), pp. 60-69. by M. F. Thorpe, M. Lei, A. J. Rader, D. J. Jacobs, L. A. Kuhn posted to flexibility md by LamBras on 2008-03-15 16:27:11 as
	Conformational flexibility models for the receptor in structure based drug design [My Copy] Curr Pharm Des, Vol. 9, No. 20. (2003), pp. 1635-1648. by M. L. Teodoro, L. E. Kavraki posted to flexibility by LamBras on 2008-03-15 16:27:11 as
	Implications of protein flexibility for drug discovery [My Copy] Nat Rev Drug Discov, Vol. 2, No. 7. (2003), pp. 527-541. by S. J. Teague posted to drugdesign flexibility by LamBras on 2008-03-15 16:27:11 as
	A hybrid method of molecular dynamics and harmonic dynamics for docking of flexible ligand to flexible receptor [My Copy] J Comput Chem, Vol. 25, No. 16. (2004), pp. 1995-2005. by R. Tatsumi, Y. Fukunishi, H. Nakamura posted to flexibility hd md by LamBras on 2008-03-15 16:27:11 as
	NMR relaxation studies of the role of conformational entropy in protein stability and ligand binding [My Copy] Acc Chem Res, Vol. 34, No. 5. (2001), pp. 379-388. by M. J. Stone posted to flexibility nmr by LamBras on 2008-03-15 16:27:11 as
	Probing flexibility and ?induced-fit? phenomena in aldose reductase by comparative crystal structure analysis and molecular dynamics simulations [My Copy] Proteins: Structure, Function, and Bioinformatics, Vol. 56, No. 1. (2004), pp. 52-66. by Christoph Sotriffer, Oliver Krã¤mer, Gerhard Klebe posted to docking flexibility md by LamBras on 2008-03-15 16:27:11 as
	Flexible docking allowing induced fit in proteins: Insights from an open to closed conformational isomers [My Copy] Proteins: Structure, Function, and Genetics, Vol. 32, No. 2. (1998), pp. 159-174. by Bilha Sandak, Haim Wolfson, Ruth Nussinov posted to conformers docking flexibility by LamBras on 2008-03-15 16:27:11 as
	Side-chain flexibility in proteins upon ligand binding [My Copy] Proteins: Structure, Function, and Genetics, Vol. 39, No. 3. (2000), pp. 261-268. by Rafael Najmanovich, Josef Kuttner, Vladimir Sobolev, Marvin Edelman posted to flexibility sidechain by LamBras on 2008-03-15 16:27:10 as
	Protein flexibility using constraints from molecular dynamics simulations [My Copy] Phys Biol, Vol. 2, No. 4. (2005) by T. Mamonova, B. Hespenheide, R. Straub, M. F. Thorpe, M. Kurnikova posted to flexibility md by LamBras on 2008-03-15 16:27:10 as
	The relaxed complex method: Accommodating receptor flexibility for drug design with an improved scoring scheme [My Copy] Biopolymers, Vol. 68, No. 1. (2003), pp. 47-62. by J. H. Lin, A. L. Perryman, J. R. Schames, J. A. Mccammon posted to flexibility scoring by LamBras on 2008-03-15 16:27:10 as
	Efficient conformational sampling of local side-chain flexibility [My Copy] J Mol Biol, Vol. 326, No. 5. (2003), pp. 1651-1665. by P. Kã¤llblad, P. M. Dean posted to flexibility sidechain by LamBras on 2008-03-15 16:27:09 as
	Protein flexibility predictions using graph theory [My Copy] Proteins: Structure, Function, and Genetics, Vol. 44, No. 2. (2001), pp. 150-165. by Donald Jacobs, A. J. Rader, Leslie Kuhn, M. F. Thorpe posted to flexibility graph by LamBras on 2008-03-15 16:27:09 as
	Protein flexibility: its role in structure and mechanism revealed by molecular simulations [My Copy] Cell Mol Life Sci, Vol. 63, No. 2. (2006), pp. 207-219. by G. Dodson, C. S. Verma posted to flexibility md by LamBras on 2008-03-15 16:27:08 as
	Representing receptor flexibility in ligand docking through relevant normal modes [My Copy] J Am Chem Soc, Vol. 127, No. 26. (2005), pp. 9632-9640. by C. N. Cavasotto, J. A. Kovacs, R. A. Abagyan posted to flexibility normal_modes by LamBras on 2008-03-15 16:27:08 as
	Protein flexibility in ligand docking and virtual screening to protein kinases [My Copy] J Mol Biol, Vol. 337, No. 1. (2004), pp. 209-225. by C. N. Cavasotto, R. A. Abagyan posted to flexibility by LamBras on 2008-03-15 16:27:08 as
	A method for including protein flexibility in protein-ligand docking: improving tools for database mining and virtual screening [My Copy] J Mol Graph Model, Vol. 18, No. 3. (2000) by H. B. Broughton posted to docking flexibility virtual_screening by LamBras on 2008-03-15 16:27:08 as
	Incorporating protein flexibility into docking and structure-based drug design [My Copy] pp. 335-349. by Xavier Barril posted to docking flexibility by LamBras on 2008-03-15 16:27:08 as
	A new method for ligand docking to flexible receptors by dual alanine scanning and refinement (SCARE) [My Copy] Journal of Computer-Aided Molecular Design by Giovanni Bottegoni, Irina Kufareva, Maxim Totrov, Ruben Abagyan posted to docking flexibility by LamBras on 2008-03-10 13:35:39 as along with 1 person AtoZ
	Protein flexibility predictions using graph theory. [My Copy] Proteins, Vol. 44, No. 2. (1 August 2001), pp. 150-165. by D. J. Jacobs, A. J. Rader, L. A. Kuhn, M. F. Thorpe posted to flexibility by LamBras on 2008-03-07 10:58:24 as along with 5 people apaydin tjimenez lna blackbart higueruelo
	FLIPDock: Docking flexible ligands into flexible receptors [My Copy] Proteins: Structure, Function, and Bioinformatics, Vol. 68, No. 3. (23 May 2007), pp. 726-737. by Yong Zhao, Michel F. Sanner posted to docking flexibility by LamBras on 2008-02-24 17:12:16 as along with 7 people and 1 group npt11tpn fl karinaecomp BragilMassoud yongzhao kazemi somak TSRI_MGL
	The relaxed complex method: Accommodating receptor flexibility for drug design with an improved scoring scheme. [My Copy] Biopolymers, Vol. 68, No. 1. (January 2003), pp. 47-62. by J. H. Lin, A. L. Perryman, J. R. Schames, J. A. McCammon posted to flexibility scoring by LamBras on 2008-02-24 17:12:05 as along with 5 people and 3 groups karinaecomp barry blackbart kazemi sobolevnrm structural_bioinformatics Bioinformatics baker-group
	Probing flexibility and ?induced-fit? phenomena in aldose reductase by comparative crystal structure analysis and molecular dynamics simulations [My Copy] Proteins: Structure, Function, and Bioinformatics, Vol. 56, No. 1. (2004), pp. 52-66. by Christoph A. Sotriffer, Oliver Krämer, Gerhard Klebe posted to docking flexibility md by LamBras on 2008-01-24 15:12:31 as along with 2 people aqeel kazemi
	Flexible protein-ligand docking by global energy optimization in internal coordinates. [My Copy] Proteins, Vol. Suppl 1 (1997), pp. 215-220. by M. Totrov, R. Abagyan posted to flexibility by LamBras on 2007-11-23 12:43:55 as along with 2 people schlauchi kazemi
	Conformational flexibility models for the receptor in structure based drug design. [My Copy] Curr Pharm Des, Vol. 9, No. 20. (2003), pp. 1635-1648. by M. L. Teodoro, L. E. Kavraki posted to flexibility by LamBras on 2007-11-23 12:40:59 as along with 2 people aqeel kazemi
	A hybrid method of molecular dynamics and harmonic dynamics for docking of flexible ligand to flexible receptor. [My Copy] J Comput Chem, Vol. 25, No. 16. (December 2004), pp. 1995-2005. by R. Tatsumi, Y. Fukunishi, H. Nakamura posted to flexibility hd md by LamBras on 2007-11-23 12:40:52 as along with 2 people aqeel kazemi
	Hierarchical and multi-resolution representation of protein flexibility. [My Copy] Bioinformatics (18 September 2006) by Yong Zhao, Daniel Stoffler, Michel Sanner posted to flexibility by LamBras on 2007-11-23 12:40:38 as along with 4 people and 1 group BragilMassoud dgruiz yongzhao kazemi TSRI_MGL
	Side-chain flexibility in proteins upon ligand binding [My Copy] Proteins: Structure, Function, and Genetics, Vol. 39, No. 3. (2000), pp. 261-268. by Rafael Najmanovich, Josef Kuttner, Vladimir Sobolev, Marvin Edelman posted to flexibility sidechain by LamBras on 2007-11-23 12:40:30 as along with 3 people and 1 group fl yongzhao kazemi TSRI_MGL
	Protein flexibility in ligand docking and virtual screening to protein kinases. [My Copy] J Mol Biol, Vol. 337, No. 1. (12 March 2004), pp. 209-225. by C. N. Cavasotto, R. A. Abagyan posted to flexibility by LamBras on 2007-11-23 12:40:19 as along with 9 people and 3 groups flbarroso oteri BragilMassoud dgruiz yongzhao sangeetha anwazo daevans kazemi Bioinformatics TSRI_MGL insilicodrug
	Flexible docking allowing induced fit in proteins: Insights from an open to closed conformational isomers [My Copy] Proteins: Structure, Function, and Genetics, Vol. 32, No. 2. (1998), pp. 159-174. by Bilha Sandak, Haim J. Wolfson, Ruth Nussinov posted to conformers docking flexibility by LamBras on 2007-11-23 12:40:10 as along with 1 person kazemi
	A method for including protein flexibility in protein-ligand docking: improving tools for database mining and virtual screening. [My Copy] J Mol Graph Model, Vol. 18, No. 3. (June 2000) by H. B. Broughton posted to docking flexibility virtual_screening by LamBras on 2007-11-23 12:39:24 as along with 2 people and 1 group yongzhao kazemi TSRI_MGL
	Efficient conformational sampling of local side-chain flexibility. [My Copy] J Mol Biol, Vol. 326, No. 5. (7 March 2003), pp. 1651-1665. by P. Källblad, P. M. Dean posted to flexibility sidechain by LamBras on 2007-11-23 11:18:57 as along with 2 people blackbart kazemi

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flexibility	61
md	61
nmda	58
serinracemase	58
docking	53
virtual_screening	45
adme	30
drugdesign	26
review	19
scoring	18
cheminformatics	14
trna	13
bayesian	12
free_energy	12
ion_channels	12
muscarinic	12
sidechain	12
library_design	10
homology_modeling	9
normal_modes	8
targeted_md	8
nr1	7
rotamers	7
sar	7
conformers	6
gpcr	6
clustering	5
forcefield	5
nmr	5
xray	5
druglike	4
herg	4
proteins	4
surface	4
water_replacement	4
alzheimer	3
chemicalspace	3
ensemble	3
fingerprints	3
hts	3
scaffoldhopping	3
correlation	2
dynamics	2
graph	2
hd	2
lipophilicity	2
mmpbsa	2
pipelining	2
racemase	2
shape	2
similarity	2
allosteric	1
denovo	1
de_novo	1
induced_fit	1
itc	1
m1m2	1
ppb	1
qsar	1
r1	1
schroedinger	1
validation	1
virtuak_screening	1
x-ray	1

LamBras's flexibility [61 articles] Export

LamBras's tags