BragilMassoud's review [38 articles] Export

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	Assessment of programs for ligand binding affinity prediction. [My Copy] Journal of computational chemistry, Vol. 29, No. 8. (June 2008), pp. 1316-1331. by R. Kim, J. Skolnick posted to affinity docking review by BragilMassoud on 2008-07-04 12:58:15 as
	Progress in computational protein design [My Copy] Current Opinion in Biotechnology, Vol. 18, No. 4. (17 August 2007), pp. 305-311. by S. Lippow, B. Tidor posted to design protein review structure by BragilMassoud on 2007-09-17 17:58:44 as along with 3 people and 1 group baiaixi Lombardo_7 msuarezdiez Bioinformatics
	Drug repositioning: identifying and developing new uses for existing drugs [My Copy] Nature Reviews Drug Discovery, Vol. 3, No. 8. (01 August 2004), pp. 673-683. by Ted T. Ashburn, Karl B. Thor posted to pharmacology review by BragilMassoud on 2007-06-27 10:21:10 as along with 3 people sjcockell sameersoi apostola
	On searching in, sampling of, and dynamically moving through conformational space of biomolecular systems: A review [My Copy] Journal of Computational Chemistry, Vol. 29, No. 2. (14 June 2008), pp. 157-166. by Markus Christen, Wilfred F. van Gunsteren posted to md review by BragilMassoud on 2007-06-17 12:01:46 as along with 5 people tovrstra dgront rabio somak dmobley
	Improved sampling methods for molecular simulation. [My Copy] Curr Opin Struct Biol, Vol. 17, No. 2. (April 2007), pp. 187-191. by H. Lei, Y. Duan posted to math minimization protein review structure by BragilMassoud on 2007-05-08 13:33:48 as along with 3 people viktor21614 aqeel allmensch
	Potential energy functions for protein design. [My Copy] Curr Opin Struct Biol (24 March 2007) by F Edward E. Boas, Pehr B B. Harbury posted to design energyfunctions protein review structure by BragilMassoud on 2007-05-08 13:32:47 as along with 5 people kgutwin krapnik msuarezdiez aalibes onufriev
	In silico prediction of clinical efficacy. [My Copy] Curr Opin Biotechnol, Vol. 17, No. 6. (December 2006), pp. 666-670. by S. Michelson, A. Sehgal, C. Friedrich posted to tox review pharmacology adme by BragilMassoud on 2007-01-31 14:16:40 as
	How many drug targets are there? [My Copy] Nature Reviews Drug Discovery, Vol. 5, No. 12., pp. 993-996. by John P. Overington, Bissan Al-Lazikani, Andrew L. Hopkins posted to pharmacologyy review by BragilMassoud on 2006-12-06 15:02:53 as along with 10 people and 1 group cannin kuhn bicko mingzhi higueruelo srp33 ramensky aheilbut gemmalholliday ajaymalik libr
	Of molecules and humans. [My Copy] J Med Chem, Vol. 49, No. 22. (2 November 2006), pp. 6429-6434. by J. Gasteiger posted to ligands review by BragilMassoud on 2006-10-28 13:43:03 as along with 2 people nachtalp jarasch
	Prediction of Protein-Ligand Interactions. Docking and Scoring: Successes and Gaps. [My Copy] J Med Chem, Vol. 49, No. 20. (5 October 2006), pp. 5851-5855. by Andrew R. Leach, Brian K. Shoichet, Catherine E. Peishoff posted to docking review by BragilMassoud on 2006-09-30 14:25:03 as along with 4 people ucbcjbm dgruiz kazemi massivemayhem
	A Critical Assessment of Docking Programs and Scoring Functions [My Copy] J. Med. Chem., Vol. 49, No. 20. (5 October 2006), pp. 5912-5931. by G. L. Warren, C. W. Andrews, A. M. Capelli, et al.B. Clarke, J. Lalonde, M. H. Lambert, M. Lindvall, N. Nevins, S. F. Semus, S. Senger, G. Tedesco, I. D. Wall, J. M. Woolven, C. E. Peishoff, M. S. Head posted to docking energyfunctions review by BragilMassoud on 2006-09-30 14:24:23 as along with 6 people skoddet ucbcjbm aalibes schlauchi daevans superpyrin
	Enzyme promiscuity: evolutionary and mechanistic aspects [My Copy] Current Opinion in Chemical Biology In Analytical techniques / Mechanisms, Vol. 10, No. 5. (October 2006), pp. 498-508. by O. Khersonsky, C. Roodveldt, D. Tawfik posted to enzyme evolution pts review specificity by BragilMassoud on 2006-09-22 18:58:28 as along with 8 people pablocarb nanonan pauldobson idoerg kuhn tny ucbcjbm renatomilani
	Molecular recognition and docking algorithms. [My Copy] Annu Rev Biophys Biomol Struct, Vol. 32 (2003), pp. 335-373. by N. Brooijmans, I. D. Kuntz posted to docking review by BragilMassoud on 2006-08-28 16:13:27 as along with 7 people and 3 groups flbarroso yongzhao ttjoseph sangeetha blackbart kazemi massivemayhem Bioinformatics TSRI_MGL insilicodrug
	Delivering the power of discovery in large pharmaceutical organizations. [My Copy] Drug Discov Today, Vol. 8, No. 5. (1 March 2003), pp. 203-211. by T. Peakman, S. Franks, C. White, M. Beggs posted to hts pharmacology review by BragilMassoud on 2006-08-05 13:03:38 as
	A brief history of novel drug discovery technologies. [My Copy] Nat Rev Drug Discov, Vol. 2, No. 4. (April 2003), pp. 321-327. by L. J. Gershell, J. H. Atkins posted to hts pharmacology review by BragilMassoud on 2006-08-05 13:03:14 as along with 1 person nachtalp
	Drug research: myths, hype and reality. [My Copy] Nat Rev Drug Discov, Vol. 2, No. 8. (August 2003), pp. 665-668. by H. Kubinyi posted to docking hts pharmacology review screening by BragilMassoud on 2006-08-04 21:36:29 as along with 1 person and 1 group caporaso biomedical-nlp
	Lessons in molecular recognition: the effects of ligand and protein flexibility on molecular docking accuracy. [My Copy] J Med Chem, Vol. 47, No. 1. (1 January 2004), pp. 45-55. by J. A. Erickson, M. Jalaie, D. H. Robertson, R. A. Lewis, M. Vieth posted to docking flexible_protein review by BragilMassoud on 2006-07-29 17:02:56 as along with 6 people and 3 groups oteri apaydin yongzhao sangeetha daevans kazemi Bioinformatics TSRI_MGL insilicodrug
	Protein-ligand docking: Current status and future challenges. [My Copy] Proteins (21 July 2006) by S. F. Sousa, P. A. Fernandes, M. J. Ramos posted to docking review by BragilMassoud on 2006-07-29 14:41:18 as along with 10 people and 2 groups flbarroso ramensky yongzhao peprovy kazemi sergio_fms carlescorbi robert boris_aguilar qaiser_fatmi TSRI_MGL Chang group
	How many leads from HTS? [My Copy] Drug Discov Today, Vol. 4, No. 10. (October 1999), pp. 447-448. by R. Lahana posted to hts review by BragilMassoud on 2006-07-28 18:04:52 as
	Integration of virtual and high-throughput screening. [My Copy] Nat Rev Drug Discov, Vol. 1, No. 11. (November 2002), pp. 882-894. by J. Bajorath posted to hts review screening by BragilMassoud on 2006-07-28 18:01:47 as along with 3 people and 2 groups jerome sangeetha sithmein Bioinformatics insilicodrug
	Structure-based virtual screening of chemical libraries for drug discovery. [My Copy] Curr Opin Chem Biol, Vol. 10, No. 3. (June 2006), pp. 194-202. by S. Ghosh, A. Nie, J. An, Z. Huang posted to docking review screening by BragilMassoud on 2006-07-28 18:00:25 as along with 2 people and 1 group oteri yongzhao TSRI_MGL
	Finding New Tricks For Old Drugs: An Efficient Route For Public-Sector Drug Discovery [My Copy] Nature Reviews Drug Discovery, Vol. 4, No. 12., pp. 1005-1014. by Kerry A. O'Connor, Bryan L. Roth posted to review screening by BragilMassoud on 2006-07-28 17:59:42 as
	Drug discovery: a historical perspective. [My Copy] Science, Vol. 287, No. 5460. (17 March 2000), pp. 1960-1964. by J. Drews posted to hts pharmacology review by BragilMassoud on 2006-07-27 23:21:46 as along with 12 people and 5 groups jbesnard Yanno nachtalp kuhn Borelli sangeetha joergkurtwegner jdiggans ramensky LamBras srp33 yaredo Bioinformatics Molecular-Modelling Drug-Design Cheminformatics insilicodrug
	Functional genomics to new drug targets. [My Copy] Nat Rev Drug Discov, Vol. 3, No. 11. (November 2004), pp. 965-972. by R. Kramer, D. Cohen posted to hts pharmacology review by BragilMassoud on 2006-07-27 23:21:30 as along with 1 person kuhn
	Navigating chemical space for biology and medicine [My Copy] Nature, Vol. 432, No. 7019. (15 December 2004), pp. 855-861. by Christopher Lipinski, Andrew Hopkins posted to hts pharmacology review by BragilMassoud on 2006-07-27 23:21:00 as along with 11 people and 5 groups TimRooney nicklynch sameersoi Effie LamBras kuhn jxl marcius caporaso blackbart jerome_ucsf_slb NaCTeM EC biomedical-nlp BioinfoCIPF SGU-CIPF
	High-throughput drug discovery: what can we expect from HTS? [My Copy] Drug Discov Today, Vol. 10, No. 1. (1 January 2005), pp. 17-22. by P. Gribbon, A. Sewing posted to hts review by BragilMassoud on 2006-07-27 23:14:47 as along with 1 person LamBras
	Ligand-protein docking and rational drug design. [My Copy] Curr Opin Struct Biol, Vol. 5, No. 2. (April 1995), pp. 224-228. by T. P. Lybrand posted to docking review screening by BragilMassoud on 2006-07-21 23:45:01 as
	Update on computer-aided drug design. [My Copy] Curr Opin Biotechnol, Vol. 6, No. 6. (December 1995), pp. 646-651. by R. C. Jackson posted to docking review screening by BragilMassoud on 2006-07-21 23:44:37 as
	Global mapping of pharmacological space [My Copy] Nature Biotechnology, Vol. 24, No. 7. (13 July 2006), pp. 805-815. by Gaia V. Paolini, Richard H. B. Shapland, Willem P. van Hoorn, Jonathan S. Mason, Andrew L. Hopkins posted to pharmacology review by BragilMassoud on 2006-07-17 21:28:55 as along with 12 people and 1 group bertelsen sameersoi superpyrin richardbickerton ramensky Yanno guhjy kuhn bicko caporaso allmensch jerome_ucsf_slb biomedical-nlp
	Antidepressants and pain. [My Copy] Trends Pharmacol Sci (6 June 2006) by Juan A A. Micó, Denis Ardid, Esther Berrocoso, Alain Eschalier posted to antidepressants pain pharmacolgy review by BragilMassoud on 2006-06-15 16:53:10 as
	Keeping dry and crossing membranes. [My Copy] Nat Biotechnol, Vol. 22, No. 9. (September 2004), pp. 1081-1084. by A. Fernández posted to dehydron protein review structure by BragilMassoud on 2006-06-01 14:41:27 as along with 1 person and 2 groups barry structural_bioinformatics Bioinformatics
	Integrating molecular design resources within modern drug discovery research: the Roche experience. [My Copy] Drug Discov Today, Vol. 11, No. 7-8. (April 2006), pp. 326-333. by M. Stahl, W. Guba, M. Kansy posted to pharmacology review by BragilMassoud on 2006-04-18 11:25:14 as along with 4 people klexa JALumley sschurer daevans
	Electrostatics calculations: latest methodological advances. [My Copy] Current opinion in structural biology, Vol. 16, No. 2. (13 April 2006), pp. 142-151. by Patrice Koehl posted to affinity electrostatics energyfunctions md review by BragilMassoud on 2006-03-19 16:29:37 as along with 7 people oteri r2s2 flbarroso LamBras qwermish RamuAnandakrishnan jteyra
	Docking and scoring in virtual screening for drug discovery: methods and applications. [My Copy] Nat Rev Drug Discov, Vol. 3, No. 11. (November 2004), pp. 935-949. by D. B. Kitchen, H. Decornez, J. R. Furr, J. Bajorath posted to docking energyfunctions review screening by BragilMassoud on 2006-02-04 15:51:20 as along with 8 people and 9 groups LamBras robert85 dgruiz beapen anita yongzhao marcius sangeetha Bioinformatics structure-bii TSRI_MGL Atopic_and_Seborrhoeic_Dermatitis Skin_Deep insilicodrug Applied_Bimatics BioinfoCIPF SGU-CIPF
	ATPase activity and conformational changes in the regulation of actin. [My Copy] Biochim Biophys Acta, Vol. 1549, No. 2. (18 October 2001), pp. 137-147. by H. Schüler posted to actin protein review structure by BragilMassoud on 2005-11-13 15:47:03 as
	Computational methods for the structural alignment of molecules. [My Copy] J Comput Aided Mol Des, Vol. 14, No. 3. (March 2000), pp. 215-232. by C. Lemmen, T. Lengauer posted to alignment protein review structure superposition by BragilMassoud on 2005-11-13 12:53:48 as along with 4 people tjimenez nachtalp schlauchi superpyrin
	Comments on selected fundamental aspects of microarray analysis. [My Copy] Comput Biol Chem, Vol. 29, No. 5. (October 2005), pp. 319-336. by A. Riva, A. S. Carpentier, B. Torrésani, A. Hénaut posted to geneexpression review statistics by BragilMassoud on 2005-11-02 15:24:38 as
	Searching for functional sites in protein structures. [My Copy] Current opinion in chemical biology, Vol. 8, No. 1. (February 2004), pp. 3-7. by S. Jones, J. M. Thornton posted to alignment evolution evotrace protein review structure by BragilMassoud on 2005-10-30 14:48:31 as along with 7 people and 1 group qluo LeightonP chrn Einat proteasome nickolay jwm structural_bioinformatics

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docking	175
structure	91
protein	89
screening	84
pharmacology	43
energyfunctions	42
review	38
math	35
nma	25
affinity	22
forcefield	21
kinases	21
ligands	20
flexible_protein	18
minimization	18
robert	17
db	13
hts	13
md	13
visualization	13
internal_coordinates	12
alignment	11
superposition	11
actin	10
electrostatics	9
gold	9
evolution	8
kinesin	7
ligand	7
dehydron	6
design	6
solvation	6
cavities	5
flexx	5
machinelearning	5
mc	5
specificity	5
statistics	5
stun	5
surflex	5
conformations	4
evotrace	4
glide	4
metabolomics	4
pts	4
qc	4
slide	4
antibiotics	3
autodock	3
benchmark	3
benchmarks	3
brain	3
comment	3
comparison	3
est	3
fingerprints	3
graphs	3
inversescreening	3
physics	3
ribbons	3
roc	3
sasa	3
textmining	3
abinitio	2
born	2
cancer	2
chemogenomics	2
consensus	2
database	2
energy_functions	2
enzyme	2
enzymes	2
ga	2
geneexpression	2
graph	2
ludi	2
pharmacogenetics	2
pharmacophore	2
quaternion	2
ring_flipping	2
similarity	2
tox	2
1acj	1
adme	1
affinitiy	1
algorithm	1
antidepressants	1
antoptimization	1
bench_errors	1
bias	1
clustering	1
conforamtions	1
conformaations	1
conformation	1
denovo	1
density	1
dock	1
dokcing	1
ehits	1
entropy	1
fragmentation	1
fragments	1
framgents	1
geometry	1
ghb	1
glamdock	1
gpu	1
hammerhead	1
hbond	1
hom_model	1
hond	1
hydration	1
inverse_screening	1
kinase	1
language	1
ligandfit	1
loop_quantum	1
mechanics	1
metal	1
networks	1
neuro	1
open_access	1
openeye	1
optimization	1
pain	1
pdk1	1
pharmacolgy	1
pharmacologyy	1
psychedelics	1
psychology	1
qsar	1
qxp	1
random	1
rotation	1
rss	1
salvinorin	1
science	1
sequence	1
spline	1
therapy	1
water	1
xray	1

BragilMassoud's review [38 articles] Export

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