alfons's drug [15 articles] Export

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

	FOG: Fragment Optimized Growth Algorithm for the de Novo Generation of Molecules Occupying Druglike Chemical Space [My Copy] Journal of Chemical Information and Modeling, Vol. 49, No. 7. (27 July 2009), pp. 1630-1642. by Peter S. Kutchukian, David Lou, Eugene I. Shakhnovich posted to drug space by alfons on 2009-06-16 10:16:52 as along with 2 people nicklynch nickolay
	Heteroaromatic Rings of the Future [My Copy] Journal of Medicinal Chemistry, Vol. 52, No. 9. (14 May 2009), pp. 2952-2963. by William R. Pitt, David M. Parry, Benjamin G. Perry, Colin R. Groom posted to drug heteroaromatic smiles by alfons on 2009-05-20 09:03:13 as along with 6 people and 1 group ihaque wozzza goncalojustino jerome ubcg08l higueruelo Cross Research Group
	A Kernel for Open Source Drug Discovery in Tropical Diseases [My Copy] PLoS Negl Trop Dis, Vol. 3, No. 4. (21 April 2009), e418. by Leticia Ortí, Rodrigo J. Carbajo, Ursula Pieper, et al.Narayanan Eswar, Stephen M. Maurer, Arti K. Rai, Ginger Taylor, Matthew H. Todd, Antonio Pineda-Lucena, Andrej Sali, Marc A. Marti-Renom posted to drug neglected tropical by alfons on 2009-04-27 15:49:36 as along with 4 people and 1 group venancio Scis0000002 jmccammon Takao McCammon
	Basic overview of chemoinformatics. [My Copy] J Chem Inf Model, Vol. 46, No. 6. (c 2006), pp. 2267-2277. by T. Engel posted to chemoinformatics drug by alfons on 2009-04-27 14:58:22 as along with 4 people and 1 group jxl Borelli alexg tullachBui EC
	Relationships between Molecular Complexity, Biological Activity, and Structural Diversity. [My Copy] J Chem Inf Model, Vol. 46, No. 2. (2006), pp. 525-535. by Ansgar Schuffenhauer, Nathan Brown, Paul Selzer, Peter Ertl, Edgar Jacoby posted to 50 bibtex concentration design drug inhibitory ligands models molecular quantitative relationship structure structure-activity theoretical by alfons on 2009-04-27 14:53:13 as
	Ligand-based approach to in silico pharmacology: nuclear receptor profiling. [My Copy] J Chem Inf Model, Vol. 46, No. 6. (2006), pp. 2725-2736. by Jordi Mestres, Lidia M. Couce, Elisabet G. Puigjané, Montserrat Cases, Scott Boyer posted to and animals bibtex binding chemical chemistry combinatorial conformation cytoplasmic design drug entropy humans ligands models molecular nuclear pharmaceutical protein receptors software statistical structure techniques technology by alfons on 2009-04-27 14:53:12 as
	Chemical fragment spaces for de novo design. [My Copy] J Chem Inf Model, Vol. 47, No. 2. (2007), pp. 318-324. by Harald Mauser, Martin Stahl posted to bibtex biology computational design drug molecular structure by alfons on 2009-04-27 14:53:12 as
	Recent developments in de novo design and scaffold hopping. [My Copy] Curr Opin Drug Discov Devel, Vol. 11, No. 3. (May 2008), pp. 365-374. by Harald Mauser, Wolfgang Guba posted to animals bibtex computer computer-aided conformation design drug graphics humans libraries ligands models molecular molecule pharmaceutical protein relationship simulation small structure structure-activity technology by alfons on 2009-04-27 14:53:12 as
	Strategies in drug design based on 3D-structures of ligands. [My Copy] Prog Clin Biol Res, Vol. 291 (1989), pp. 177-181. by Y. C. Martin, E. B. Danaher, C. S. May, D. Weininger, J. H. Van Drie posted to bibtex conformation design drug information ligands models molecular relationship software structure-activity systems by alfons on 2009-04-27 14:53:12 as
	MENTHOR, a database system for the storage and retrieval of three-dimensional molecular structures and associated data searchable by substructural, biologic, physical, or geometric properties. [My Copy] J Comput Aided Mol Des, Vol. 2, No. 1. (Apr 1988), pp. 15-29. by Y. C. Martin, E. B. Danaher, C. S. May, D. Weininger posted to bibtex conformation design drug information models molecular software structure systems by alfons on 2009-04-27 14:53:12 as
	New directions in library design and analysis. [My Copy] Curr Opin Chem Biol, Vol. 12, No. 3. (Jun 2008), pp. 372-378. by Valerie J. Gillet posted to bibtex chemistry combinatorial design drug evaluation libraries molecule of preclinical reproducibility results small techniques by alfons on 2009-04-27 14:53:12 as
	Virtual exploration of the chemical universe up to 11 atoms of C, N, O, F: assembly of 26.4 million structures (110.9 million stereoisomers) and analysis for new ring systems, stereochemistry, physicochemical properties, compound classes, and drug discovery. [My Copy] J Chem Inf Model, Vol. 47, No. 2. (2007), pp. 342-353. by Tobias Fink, Jean L. Reymond posted to bibtex biology chemistry computational cyclization databases design drug evaluation factual models molecular pharmaceutical physical preclinical preparations stereoisomerism structure by alfons on 2009-04-27 14:53:11 as
	ALADDIN: an integrated tool for computer-assisted molecular design and pharmacophore recognition from geometric, steric, and substructure searching of three-dimensional molecular structures. [My Copy] J Comput Aided Mol Des, Vol. 3, No. 3. (Sep 1989), pp. 225-251. by J. H. Van Drie, D. Weininger, Y. C. Martin posted to agents bibtex binding computer conformation design dopamine drug graphics information models molecular sites software structure systems by alfons on 2009-04-27 14:53:11 as
	Chemical space travel. [My Copy] ChemMedChem, Vol. 2, No. 5. (May 2007), pp. 636-640. by Ruud van Deursen, Jean L. Reymond posted to bibtex design drug molecular mutation structure by alfons on 2009-04-27 14:53:11 as
	The properties of known drugs. 1. Molecular frameworks. [My Copy] J Med Chem, Vol. 39, No. 15. (Jul 1996), pp. 2887-2893. by G. W. Bemis, M. A. Murcko posted to benzene bibtex cyclization databases design drug factual molecular pharmaceutical preparations structure by alfons on 2009-04-27 14:53:11 as

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bibtex	42
molecular	19
drug	15
structure	14
design	13
models	12
chemistry	9
databases	9
structure-activity	8
conformation	8
relationship	8
pharmaceutical	7
factual	7
software	7
computational	6
chemical	6
ligands	6
combinatorial	5
techniques	5
preparations	5
biology	5
analysis	4
binding	4
libraries	4
systems	4
animals	4
protein	4
humans	4
quantitative	3
algorithms	3
information	3
computer	3
evaluation	3
data	3
simulation	2
graphics	2
amino	2
sites	2
acid	2
computers	2
topic	2
preclinical	2
technology	2
entropy	2
stereoisomerism	2
sequence	2
receptors	2
space	2
as	2
chemoinformatics	2
small	2
molecule	2
dopamine	2
cyclization	2
physical	2
docking	1
structures	1
benzene	1
regression	1
polychlorinated	1
crystallography	1
protease	1
insulin	1
inhibitory	1
theorem	1
resonance	1
bayes	1
solubility	1
antagonists	1
hiv	1
mutation	1
tropical	1
genetic	1
roc	1
discriminant	1
magnetic	1
management	1
replacement	1
spectrometry	1
focused	1
time	1
phosphotransferases	1
peptides	1
histamine	1
heteroaromatic	1
library	1
ligand-target	1
weight	1
isosteric	1
artificial	1
results	1
agonists	1
piperidines	1
gpdbnet	1
curve	1
x-ray	1
exploration	1
mass	1
peptoids	1
microcomputers	1
hopping	1
morphine	1
spiro	1
cancer	1
quantum	1
phenols	1
biphenyls	1
informatics	1
indoles	1
pressure	1
nuclear	1
qsar	1
review	1
neglected	1
smiles	1
somatostatin	1
screening	1
spectroscopy	1
theoretical	1
spaces	1
computer-aided	1
3d	1
liquid	1
array	1
and	1
inhibitors	1
reproducibility	1
compounds	1
g-protein-coupled	1
adsorption	1
novo	1
privileged	1
permeability	1
annotated	1
thyrotropin	1
factors	1
intelligence	1
chromatography	1
database	1
proteome	1
agents	1
transcription	1
thermodynamics	1
statistical	1
studies	1
h1	1
concentration	1
pharmacology	1
fragments	1
enzyme	1
mining	1
piperazines	1
of	1
reverse	1
astemizole	1
oligopeptides	1
fullerenes	1
50	1
high	1
pain	1
cluster	1
terminology	1
bioisosters	1
cytoplasmic	1
scaffold	1

alfons's drug [15 articles] Export

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