BragilMassoud's ligands [20 articles] Export

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

	Graph-Based Molecular Alignment (GMA) [My Copy] Journal of Chemical Information and Modeling (2007) by J. Marialke, R. Koerner, S. Tietze, J. Apostolakis posted to ligands robert superposition by BragilMassoud on 2007-02-07 14:01:38 as
	Automatic and Efficient Decomposition of Two-Dimensional Structures of Small Molecules for Fragment-Based High-Throughput Docking. [My Copy] J Med Chem, Vol. 49, No. 25. (14 December 2006), pp. 7384-7392. by Peter Kolb, Amedeo Caflisch posted to fragmentation ligands screening by BragilMassoud on 2006-12-09 15:36:42 as along with 2 people nachtalp daevans
	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
	Conformational Diversity of Ligands Bound to Proteins [My Copy] Journal of Molecular Biology, Vol. 356, No. 4. (3 March 2006), pp. 928-944. by Gareth R. Stockwell, Janet M. Thornton posted to conformation docking ligands protein structure by BragilMassoud on 2006-10-16 13:42:05 as along with 7 people JALumley ubcg08l apaydin kuhn bilab grottenolm thanatos
	3DinSight: an integrated relational database and search tool for the structure, function and properties of biomolecules. [My Copy] Bioinformatics, Vol. 14, No. 2. (1998), pp. 188-195. by J. An, T. Nakama, Y. Kubota, A. Sarai posted to affinity db docking ligands protein structure by BragilMassoud on 2006-07-17 16:57:33 as
	Incomplete protein packing as a selectivity filter in drug design. [My Copy] Structure, Vol. 13, No. 12. (December 2005), pp. 1829-1836. by A. Fernández posted to affinity dehydron ligands protein screening structure by BragilMassoud on 2006-06-01 14:30:24 as along with 1 person kuhn
	Morphological similarity: a 3D molecular similarity method correlated with protein-ligand recognition. [My Copy] J Comput Aided Mol Des, Vol. 14, No. 2. (February 2000), pp. 199-213. by A. N. Jain posted to ligands screening superposition by BragilMassoud on 2006-05-17 13:37:52 as along with 1 person apostola
	Can we rationally design promiscuous drugs? [My Copy] Current Opinion in Structural Biology, Vol. 16, No. 1. (24 February 2006), pp. 127-136. by A. Hopkins, J. Mason, J. Overington posted to design docking ligands pharmacology by BragilMassoud on 2006-02-06 16:34:47 as along with 9 people and 1 group pablocarb pauldobson ubcg08l apaydin kuhn bicko yongzhao ramensky aheilbut TSRI_MGL
	Force Fields and Minimization [My Copy] by George G. Stanley posted to forcefield ligands structure by BragilMassoud on 2006-01-05 16:24:39 as
	ChemDB: a public database of small molecules and related chemoinformatics resources. [My Copy] Bioinformatics (20 September 2005) by Jonathan Chen, S Joshua J. Swamidass, Yimeng Dou, Jocelyne Bruand, Pierre Baldi posted to db ligands by BragilMassoud on 2005-09-23 10:07:48 as along with 1 person andytseng
	Data mining and machine learning techniques for the identification of mutagenicity inducing substructures and structure activity relationships of noncongeneric compounds. [My Copy] J Chem Inf Comput Sci, Vol. 44, No. 4. (g 2004), pp. 1402-1411. by C. Helma, T. Cramer, S. Kramer, L. De Raedt posted to db ligands machinelearning pharmacology by BragilMassoud on 2005-09-14 14:07:33 as along with 2 people jxl LamBras
	MESHI: a new library of Java classes for molecular modeling. [My Copy] Bioinformatics (16 August 2005) by Nir Kalisman, Ami Levi, Tetyana Maximova, et al.Dan Reshef, Sharon Zafriri-Lynn, Yan Gleyzer, Chen Keasar posted to forcefield ligands protein structure by BragilMassoud on 2005-08-26 09:06:47 as
	Conformational analysis. 130. MM2. A hydrocarbon force field utilizing V1 and V2 torsional terms [My Copy] Journal of the American Chemical Society, Vol. 99, No. 25. (7 December 1977), pp. 8127-8134. by Norman L. Allinger posted to forcefield ligands by BragilMassoud on 2005-07-20 15:18:53 as
	Validation of the general purpose tripos 5.2 force field [My Copy] Journal of Computational Chemistry, Vol. 10, No. 8. (7 September 2004), pp. 982-1012. by Matthew Clark, Richard D. Cramer, Nicole Van Opdenbosch posted to forcefield ligands by BragilMassoud on 2005-07-19 13:13:31 as along with 3 people Gershom nachtalp schlauchi
	Large-scale validation of a quantum mechanics based scoring function: predicting the binding affinity and the binding mode of a diverse set of protein-ligand complexes. [My Copy] J Med Chem, Vol. 48, No. 14. (14 July 2005), pp. 4558-4575. by K. Raha, K. M. Merz posted to affinity docking ligands screening by BragilMassoud on 2005-07-09 15:18:08 as
	Decoys for docking. [My Copy] J Med Chem, Vol. 48, No. 11. (2 June 2005), pp. 3714-3728. by A. P. Graves, R. Brenk, B. K. Shoichet posted to db docking ligands screening by BragilMassoud on 2005-07-04 15:49:45 as along with 8 people and 4 groups csrocha oteri simranjeet dgruiz yongzhao sangeetha insilico blackbart Bioinformatics TSRI_MGL insilicodrug Computer Aided Drug Design
	Searching techniques for databases of two- and three-dimensional chemical structures. [My Copy] J Med Chem, Vol. 48, No. 13. (30 June 2005), pp. 4183-4199. by P. Willett posted to db graphs ligands screening by BragilMassoud on 2005-07-04 15:47:18 as along with 1 person schlauchi
	Binding MOAD (Mother Of All Databases). [My Copy] Proteins (21 June 2005) by Liegi Hu, Mark L L. Benson, Richard D D. Smith, Michael G G. Lerner, Heather A A. Carlson posted to affinity db docking energyfunctions ligands protein structure by BragilMassoud on 2005-06-24 14:16:20 as along with 5 people and 10 groups sangeetha shantanu caporaso papatonyhill higueruelo structural_bioinformatics MathBio Biostatistics Bioinformatics microRNA Computational_Systems_Biology EvolutionaryComputation Computational-Neurobiology biomedical-nlp insilicodrug
	Comparison of Automatic Three-Dimensional Model Builders Using 639 X-ray Structures [My Copy] Journal of Chemical Information and Modeling, Vol. 34, No. 4. (July 1994), pp. 1000-1008. by Jens Sadowski, Johann Gasteiger, Gerhard Klebe posted to ligands structure by BragilMassoud on 2005-06-24 10:10:23 as
	Automated drawing of structural molecular formulas under constraints. [My Copy] J Chem Inf Comput Sci, Vol. 44, No. 3. (n 2004), pp. 1065-1078. by P. C. Fricker, M. Gastreich, M. Rarey posted to ligands visualization by BragilMassoud on 2005-05-08 17:39:22 as along with 1 person nachtalp

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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 ligands [20 articles] Export

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