Tag ligand [at least 200 articles] Export

Recent papers classified by the tag ligand.

	Relating protein pharmacology by ligand chemistry [My Copy] Nat Biotech, Vol. 25, No. 2. (07 February 2007), pp. 197-206. by Michael J. Keiser, Bryan L. Roth, Blaine N. Armbruster, Paul Ernsberger, John J. Irwin, Brian K. Shoichet posted to protein prediction pharmacology ligand drug chemical_similarity chemical_fingerprints by pablocarb on 2009-11-12 09:18:53 as along with 9 people mnishimu ucbcjbm Yanno tjimenez kuhn daevans massivemayhem dgront jerome_ucsf_slb
	Sigma receptor ligand 4-phenyl-1-(4-phenylbutyl)-piperidine modulates neuronal nitric oxide synthase/postsynaptic density-95 coupling mechanisms and protects against neonatal ischemic degeneration of striatal neurons. [My Copy] Experimental neurology (30 October 2009) by Zeng-Jin J. Yang, Erin L. Carter, Michel T. Torbey, Lee J. Martin, Raymond C. Koehler posted to synthase-postsynaptic striatal sigma receptor protects oxide of nitric neurons neuronal neonatal modulates mechanisms ligand ischemic density-95 degeneration coupling and against 4-phenyl-1-4-phenylbutyl-piperidine by StemCellWorkstation on 2009-11-04 22:31:00 as
	Conformational populations of ligand-sized molecules by replica exchange molecular dynamics and temperature reweighting [My Copy] Journal of Computational Chemistry, Vol. 9999, No. 9999. (2009), NA. by Hisashi Okumura, Emilio Gallicchio, Ronald M. Levy posted to replica_exchange populations nov09 molecular_dynamics ligand jcc conformation by klexa on 2009-11-04 15:36:26 as
	Finding Key Members in Compound Libraries by Analyzing Networks of Molecules Assembled by Structural Similarity [My Copy] Journal of Chemical Information and Modeling, Vol. 0, No. 0. (30 October 0000), 091030094710018. by Zsolt Lepp, Chunfei Huang, Takashi Okada posted to similarity nov09 network molecule ligand compound_libraries cheminformatics by nickolay on 2009-11-03 20:39:55 as along with 1 person massivemayhem
	Docking Ligands into Flexible and Solvated Macromolecules. 5. Force-Field-Based Prediction of Binding Affinities of Ligands to Proteins [My Copy] Journal of Chemical Information and Modeling, Vol. 0, No. 0. (0000) by Pablo Englebienne, Nicolas Moitessier posted to solvent prediction nov09 ligand flexibility docking affinity by nickolay on 2009-11-03 20:35:14 as
	IsoStar: A library of information about nonbonded interactions [My Copy] Journal of Computer-Aided Molecular Design, Vol. 11, No. 6. (1 November 1997), pp. 525-537. by Ian J. Bruno, Jason C. Cole, Jos P. M. Lommerse, R. Scott Rowland, Robin Taylor, Marcel L. Verdonk posted to program non-bonded ligand library isostar interaction conformation by dimka on 2009-10-13 17:22:43 as
	A Mapping of Drug Space from the Viewpoint of Small Molecule Metabolism [My Copy] PLoS Comput Biol, Vol. 5, No. 8. (21 August 2009), e1000474. by James C. Adams, Michael J. Keiser, Li Basuino, et al.Henry F. Chambers, Deok-Sun Lee, Olaf G. Wiest, Patricia C. Babbitt posted to nov09 target similarity network metabolism ligand drug action by nickolay on 2009-10-08 19:20:47 as along with 8 people and 1 group sobolevnrm klexa bdessailly pablocarb ptrobajo biomcgary reyez thomaskelder Orengo Group Journal Picks
	Quantifying the Relationships among Drug Classes [My Copy] Journal of Chemical Information and Modeling, Vol. 48, No. 4. (1 April 2008), pp. 755-765. by Jérôme Hert, Michael J. Keiser, John J. Irwin, Tudor I. Oprea, Brian K. Shoichet posted to nov09 similarity-network ligand drug clustering by nickolay on 2009-10-08 19:11:43 as along with 8 people and 1 group tjchen mijogiffin pauldobson dullhunk middledomain sobolevnrm ucbcjbm jerome_ucsf_slb baker-group
	Blind docking of pharmaceutically relevant compounds using RosettaLigand [My Copy] Protein Science, Vol. 18, No. 9. (24 June 2009), pp. 1998-2002. by Ian W. Davis, Kaushik Raha, Martha S. Head, David Baker posted to sep09 protsci ligand drug_discovery docking by klexa on 2009-10-07 13:36:33 as along with 1 person apaydin
	An Intersection Inequality Sharper than the Tanimoto Triangle Inequality for Efficiently Searching Large Databases [My Copy] Journal of Chemical Information and Modeling, Vol. 49, No. 8. (24 August 2009), pp. 1866-1870. by Pierre Baldi, Daniel S. Hirschberg posted to tanimoto similarity oct09 ligand cheminformatics by nickolay on 2009-10-07 01:36:53 as
	Detecting Protein−Ligand Binding on Supported Bilayers by Local pH Modulation [My Copy] Journal of the American Chemical Society, Vol. 131, No. 3. (28 January 2009), pp. 1006-1014. by Hyunsook Jung, Aaron D. Robison, Paul S. Cremer posted to surface resonance protein plasmon ph modulation ligand jung09pdf bilayer by paulschlesinger on 2009-10-06 21:04:10 as
	Assessing the performance of OMEGA with respect to retrieving bioactive conformations. [My Copy] Journal of molecular graphics & modelling, Vol. 21, No. 5. (March 2003), pp. 449-462. by Jonas Boström, Jeremy R. Greenwood, Johan Gottfries posted to methods ligand conformation by dimka on 2009-10-06 16:30:36 as
	Reduction-of-dimensionality kinetics at reaction-limited cell surface receptors. [My Copy] Biophysical journal, Vol. 66, No. 3 Pt 1. (March 1994), pp. 588-600. by D. Axelrod, M. D. Wang posted to smoluchowski reaction ligand diffusion collins-kimball binding analytical by gabe_rosser on 2009-10-02 18:39:14 as
	LIBRUS: Combined Machine Learning and Homology Information for Sequence-based Ligand-Binding Residue Prediction [My Copy] Bioinformatics (28 September 2009), btp561. by Chris Kauffman, George Karypis posted to sequence prediction machine-learning ligand homology binding by neils on 2009-09-30 00:52:38 as
	Docking small ligands in flexible binding sites [My Copy] Journal of Computational Chemistry, Vol. 19, No. 1. (1998), pp. 21-37. by Joannis Apostolakis, Andreas Plückthun, Amedeo Caflisch posted to ligand flexibility docking binding 1998 by klexa on 2009-09-29 22:57:39 as along with 3 people karinaecomp BragilMassoud schlauchi
	Do Structurally Similar Ligands Bind in a Similar Fashion? [My Copy] Journal of Medicinal Chemistry, Vol. 49, No. 23. (1 November 2006), pp. 6716-6725. by Jonas Bostrom, Anders Hogner, Stefan Schmitt posted to solvation similiarity side-chain sbdd protein_flexibility ligand flexibility drug_discovery 2006 by klexa on 2009-09-29 20:45:59 as along with 4 people schlauchi daevans superpyrin nickolay
	Reversible Orthopalladation of Phosphinimine−Imine Dichloropalladium(II) Complexes [My Copy] Organometallics, Vol. 28, No. 13. (13 July 2009), pp. 3889-3895. by Christopher J. Wallis, Ira L. Kraft, Jeffrey N. Murphy, Brian O. Patrick, Parisa Mehrkhodavandi posted to phosphinimine ligand by MurphysLab on 2009-09-18 19:17:13 as
	Methods for the prediction of protein-ligand binding sites for structure-based drug design and virtual ligand screening. [My Copy] Current protein & peptide science, Vol. 7, No. 5. (October 2006), pp. 395-406. by Alasdair T. Laurie, Richard M. Jackson posted to virtual structure sites screening protein-ligand prediction of methods ligand for drug design binding based and by jinghu_fandm on 2009-09-15 19:15:27 as along with 2 people and 1 group mkotlyar caporaso biomedical-nlp
	Correcting ligands, metabolites, and pathways. [My Copy] BMC bioinformatics, Vol. 7 (28 November 2006), 517. by Martin A. Ott, Gert Vriend posted to stereochemistry pathway metabolism ligand kegg by ptrobajo on 2009-09-12 22:37:40 as along with 3 people BragilMassoud kuhn aswin
	Automated Docking Screens: A Feasibility Study [My Copy] Journal of Medicinal Chemistry, Vol. 52, No. 18. (24 September 2009), pp. 5712-5720. by John J. Irwin, Brian K. Shoichet, Michael M. Mysinger, et al.Niu Huang, Francesco Colizzi, Pascal Wassam, Yiqun Cao posted to structure protein ligand docking by operon on 2009-09-02 01:16:15 as along with 2 people k8jbd npt11tpn
	Cloning, Characterization, and Expression of a G-Protein-Coupled Receptor from Lymnaea stagnalis and Identification of a Leucokinin-Like Peptide, PSFHSWSamide, as Its Endogenous Ligand [My Copy] J. Neurosci., Vol. 17, No. 4. (15 February 1997), pp. 1197-1205. by Kingsley J. A. Cox, Cornelis P. Tensen, Roel C. Van der Schors, et al.Ka W. Li, Harm van Heerikhuizen, Erno Vreugdenhil, Wijnand P. M. Geraerts, Julian F. Burke posted to psfhswsamide lymne ligand gpcr by LaetitiaBigot on 2009-08-27 13:06:03 as
	Inclusion of ionization states of ligands in affinity calculations [My Copy] Proteins: Structure, Function, and Bioinformatics, Vol. 76, No. 1. (2009), pp. 138-150. by Serena Donnini, Alessandra Villa, Gerrit Groenhof, Alan E. Mark, Rik K. Wierenga, André H. Juffer posted to ti thermodynamics technique receptor protein ligand ion free-energy computer chemistry binding affinity by rbaron to the group McCammon on 2009-08-26 18:52:34 as along with 5 people and 1 group flbarroso onufriev ibuch sobolevnrm RamuAnandakrishnan baker-group
	G Protein-coupled Receptors. I. DIVERSITY OF RECEPTOR-LIGAND INTERACTIONS [My Copy] J. Biol. Chem., Vol. 273, No. 28. (10 July 1998), pp. 17299-17302. by Tae H. Ji, Mathis Grossmann, Inhae Ji posted to receptor ligand interaction gpcr by LaetitiaBigot on 2009-08-26 09:45:25 as along with 1 person tkershaw
	Ligand efficiency: a useful metric for lead selection [My Copy] Drug Discovery Today, Vol. 9, No. 10. (15 May 2004), pp. 430-431. by A. Hopkins posted to ligand drug by mijogiffin on 2009-08-21 00:33:28 as along with 6 people ubcg08l bicko Yanno daevans higueruelo JALumley
	Detection of ligand binding hot spots on protein surfaces via fragment-based methods: application to DJ-1 and glucocerebrosidase [My Copy] Journal of Computer-Aided Molecular Design, Vol. 23, No. 8. (1 August 2009), pp. 491-500. by Melissa Landon, Raquel Lieberman, Quyen Hoang, et al.Shulin Ju, Jose Caaveiro, Susan Orwig, Dima Kozakov, Ryan Brenke, Gwo-Yu Chuang, Dmitry Beglov, Sandor Vajda, Gregory Petsko, Dagmar Ringe posted to mscs ligand jcamd hot-spots fragment drug_discovery crystallography binding aug09 by klexa on 2009-08-20 14:12:24 as along with 1 person reyez
	Pre-Target Axon Sorting Establishes the Neural Map Topography 神経地図内の軸索の投射位置は軸索が配線する前の軸索間相互作用によって決定される [My Copy] Science, Vol. 325, No. 5940. (31 July 2009), pp. 585-590. by Takeshi Imai, Takahiro Yamazaki, Reiko Kobayakawa, et al.Ko Kobayakawa, Takaya Abe, Misao Suzuki, Hitoshi Sakano posted to topographic sensory repulsive receptor olfactory mice map ligand information guidance axon by ttaga on 2009-08-20 02:52:18 as along with 2 people ackman tyrell_turing
	Ligand-targeted liposomal anticancer drugs [My Copy] Progress in Lipid Research, Vol. 42, No. 5. (September 2003), pp. 439-462. by P. Sapra posted to targeted sapra03pdf liposome ligand cancer by paulschlesinger on 2009-08-19 00:58:03 as
	Transglutaminase-Catalyzed Site-Specific Conjugation of Small-Molecule Probes to Proteins in Vitro and on the Surface of Living Cells [My Copy] Journal of the American Chemical Society, Vol. 128, No. 14. (1 April 2006), pp. 4542-4543. by Chi-Wang Lin, Alice Y. Ting posted to transglutaminase ligand label by ts3435 on 2009-08-13 20:25:40 as
	Computational fragment-based binding site identification by ligand competitive saturation. [My Copy] PLoS computational biology, Vol. 5, No. 7. (10 July 2009), e1000435. by Olgun Guvench, Alexander D. MacKerell posted to sites ligand binding by NickFurnham on 2009-08-13 13:45:58 as along with 5 people and 2 groups oteri higueruelo TRHvidsten barry riffraff structural_bioinformatics McCammon
	Vitamin K Induces Osteoblast Differentiation through Pregnane X Receptor-Mediated Transcriptional Control of the Msx2 Gene [My Copy] Mol. Cell. Biol., Vol. 27, No. 22. (15 November 2007), pp. 7947-7954. by Mamoru Igarashi, Yoshiko Yogiashi, Masatomo Mihara, Ichiro Takada, Hirochika Kitagawa, Shigeaki Kato posted to ligand by tkaczor on 2009-08-10 18:43:34 as
	High Affinity Binding to Profilin by a Covalently Constrained, Soluble Mimic of Phosphatidylinositol-4,5-bisphosphate Micelles [My Copy] ACS Chemical Biology, Vol. 0, No. 0. (0000) by Sarah M. Richer, Nichole K. Stewart, Sarah A. Webb, John W. Tomaszewski, Martha G. Oakley posted to analog covalent ligand pi profilin by paulschlesinger on 2009-07-31 01:13:47 as
	Design, synthesis, and kinetic evaluation of high-affinity FKBP ligands and the X-ray crystal structures of their complexes with FKBP12 [My Copy] Journal of the American Chemical Society, Vol. 115, No. 22. (1 November 1993), pp. 9925-9938. by Dennis A. Holt, Juan I. Luengo, Dennis S. Yamashita, et al.Hye J. Oh, Arda L. Konialian, Hwa K. Yen, Leonard W. Rozamus, Martin Brandt, Mary J. Bossard, posted to fkbp12 ligand by ts3435 on 2009-07-30 12:04:54 as
	Assessment of Spatial Normalization of PET Ligand Images Using Ligand-Specific Templates [My Copy] NeuroImage, Vol. 9, No. 5. (May 1999), pp. 545-553. by J. Meyer posted to assessment images ligand ligand-specific normalization of pet spatial templates using by djahny on 2009-07-28 21:04:00 as
	Effect of Input Differences on the Results of Docking Calculations [My Copy] Journal of Chemical Information and Modeling, Vol. 49, No. 7. (27 July 2009), pp. 1704-1714. by Miklos Feher, Christopher I. Williams posted to accuracy conformation corina docking geometry input ligand poses sensitivity structure x-ray by zimbo1 on 2009-07-28 08:06:15 as along with 1 person ima
	Iron behaving badly: inappropriate iron chelation as a major contributor to the aetiology of vascular and other progressive inflammatory and degenerative diseases [My Copy] BMC Medical Genomics, Vol. 2, No. 1. (2009), 2. by Douglas Kell posted to ageing aging als alzheimers atherosclerosis bioinformatics carrier chelation chelators diabetes fenton genotype-phenotype hepcidin iron lcn2 metabolism modelling neurodegeneration nf-kappab nf-kb ngal obesity parkinsons philosophy physiology polyphenols pre-eclampsia preeclampsia statistics systems_biology transporters ligand amd antoimicrobial asbestos asbestosis cancer copd diet gout malaria nash nutrition oncology sepsis sids smoking xenobiotics huntington antioxidant arthritis asthma cardiovascular chemistry damage diease frailty friedreichs_ataxia heart_failure hypertension hypoxia ibd injury longevity lupus metabolic_syndrome prooxidant reperfusion rheumatoid siderophores stroke anti-inflammatory combinatorial cytokines erythropoietin hif inflammation statins cheminformatics lbd mind_map reactive siderocalin taverna alzheimer parkinson rls by dbk on 2009-07-26 22:57:43 as along with 5 people and 6 groups pmendes gemmalholliday cchand dullhunk HEIRS dbk-lab HEIRS Oxidative Stress HEIRS Immunology and Autoimmune Diseases HEIRS Heavy Metal Toxicity HEIRS - Environmental Illness Research HEIRS Cellular Biology
	A statistical method for the analysis of positron emission tomography neuroreceptor ligand data. [My Copy] NeuroImage, Vol. 12, No. 3. (September 2000), pp. 245-256. by J. A. Aston, R. N. Gunn, K. J. Worsley, Y. Ma, A. C. Evans, A. Dagher posted to a analysis data emission for ligand method neuroreceptor of positron statistical the tomography by djahny on 2009-07-26 01:39:29 as
	Docking Ligands into Flexible and Solvated Macromolecules. 4. Are Popular Scoring Functions Accurate for this Class of Proteins? [My Copy] Journal of Chemical Information and Modeling, Vol. 49, No. 6. (22 June 2009), pp. 1568-1580. by Pablo Englebienne, Nicolas Moitessier posted to accuracy bridging chemscore complexes consensus drugscorecsd ehits flexibility function functions glidescore goldscore ligand molecules plp1 pose-prediction protein rankscore scoring water xscore by zimbo1 on 2009-07-23 13:01:57 as along with 1 person reyez
	Comparison of Several Molecular Docking Programs: Pose Prediction and Virtual Screening Accuracy [My Copy] Journal of Chemical Information and Modeling, Vol. 49, No. 6. (22 June 2009), pp. 1455-1474. by Jason B. Cross, David C. Thompson, Brajesh K. Rai, et al.J. Christian Baber, Kristi Y. Fan, Yongbo Hu, Christine Humblet posted to accuracy auc based binding complexes dock docking dud effect expert families flexx glide icm knowledge ligand metric modeling modes molecular parameter phdock poses predicting protein roc screening significant structure surflex virtual x-ray by zimbo1 on 2009-07-23 12:47:08 as along with 1 person ima
	Small-molecule agonists for the thyrotropin receptor stimulate thyroid function in human thyrocytes and mice. [My Copy] Proceedings of the National Academy of Sciences of the United States of America (10 July 2009) by Susanne Neumann, Wenwei Huang, Steve Titus, et al.Gerd Krause, Gunnar Kleinau, Anna Teresa T. Alberobello, Wei Zheng, Noel T. Southall, James Inglese, Christopher P. Austin, Francesco S. Celi, Oksana Gavrilova, Craig J. Thomas, Bruce M. Raaka, Marvin C. Gershengorn posted to agonist gpcr gphr ligand small tmd tshr by gcaltabiano on 2009-07-21 08:10:25 as
	Investigation of the properties of 4,5-dialkylated N-heterocyclic carbenes [My Copy] Dalton Trans. (2009) by Slawomir Urban, Matyas Tursky, Roland Frohlich, Frank Glorius posted to carbene complexes ligand nhc by wozzza to the group Cross Research Group on 2009-07-18 08:50:03 as
	Structural characterization of GABARAP-ligand interactions. [My Copy] Molecular bioSystems, Vol. 5, No. 6. (June 2009), pp. 575-579. by Y. Thielmann, O. H. Weiergräber, J. Mohrlüder, D. Willbold posted to gabarap interactions ligand by imelda on 2009-07-16 11:51:01 as
	Palladium-Catalyzed Coupling of Ammonia with Aryl Chlorides, Bromides, Iodides, and Sulfonates: A General Method for the Preparation of Primary Arylamines [My Copy] Journal of the American Chemical Society, Vol. 0, No. 0. (0000) by Giang D. Vo, John F. Hartwig posted to ammonia aryl bromide chloride complexes cross-coupling heterocycle ligand palladium by wozzza to the group Cross Research Group on 2009-07-15 10:48:24 as
	Probing the C−H Activation of Linear and Cyclic Ethers at (PNP)Ir [My Copy] Organometallics, Vol. 0, No. 0. (0000) by Matthew T. Whited, Yanjun Zhu, Samuel D. Timpa, et al.Chun-Hsing Chen, Bruce M. Foxman, Oleg V. Ozerov, Robert H. Grubbs posted to c-h_activation heterocycle iridium ligand pincer by wozzza to the group Cross Research Group on 2009-07-15 09:44:43 as
	The Medicinal Applications of Imidazolium Carbene−Metal Complexes [My Copy] Chemical Reviews, Vol. 0, No. 0. (0000) by Khadijah M. Hindi, Matthew J. Panzner, Carolyn L. Cannon, Wiley J. Youngs posted to antimicrobial carbene drug gold ligand medicine nhc palladium rhodium ruthenium silver by wozzza to the group Cross Research Group on 2009-07-10 13:27:21 as
	N-Heterocyclic Carbenes in Late Transition Metal Catalysis [My Copy] Chemical Reviews, Vol. 0, No. 0. (0000) by Silvia Díez-González, Nicolas Marion, Steven P. Nolan posted to background carbene catalysis complexes iridium late_tm ligand nhc palladium phosphine review rhodium ruthenium by wozzza to the group Cross Research Group on 2009-07-10 13:13:18 as
	Exploiting the Co-evolution of Interacting Proteins to Discover Interaction Specificity [My Copy] Journal of Molecular Biology, Vol. 327, No. 1. (14 March 2003), pp. 273-284. by A. Ramani posted to co-evolution ligand marcotte phylogenetics protein-protein_interaction by biomcgary on 2009-07-09 21:41:43 as
	2D molecular graphics: a flattened world of chemistry and biology [My Copy] Brief Bioinform (30 March 2009), bbp013. by Peng Zhou, Zhicai Shang posted to interaction ligand protein by mijogiffin on 2009-07-07 00:57:16 as along with 5 people and 3 groups Zephyrus nanonan sobolevnrm dimka barry baker-group structural_bioinformatics McCammon
	CREDO: A Protein-Ligand Interaction Database for Drug Discovery [My Copy] Chemical Biology & Drug Design, Vol. 73, No. 2. (February 2009), pp. 157-167. by Adrian Schreyer, Tom Blundell posted to bioinformatics cheminformatics database drug ligand protein by pansapiens on 2009-07-03 04:28:33 as along with 6 people mijam richardbickerton bicko nanonan massivemayhem higueruelo
	Setting up a large set of protein-ligand PDB complexes for the development and validation of knowledge-based docking algorithms. [My Copy] BMC bioinformatics, Vol. 8 (25 August 2007), 310. by L. A. Diago, P. Morell, L. Aguilera, E. Moreno posted to docking ligand by mijogiffin on 2009-06-30 03:06:47 as along with 3 people flbarroso mdimmic massivemayhem
	IC50-to-Ki: a web-based tool for converting IC50 to Ki values for inhibitors of enzyme activity and ligand binding [My Copy] Nucl. Acids Res. (24 April 2009), gkp253. by R. Z. Cer, U. Mudunuri, R. Stephens, F. J. Lebeda posted to activity binding enzyme ic50 inhibitors ki ligand tool web-based by Winzer on 2009-06-29 17:48:06 as

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protein	91
binding	74
docking	67
drug	53
review	48
structure	36
algorithms	33
design	27
electrostatics	21
pka	19
dynamics	16
molecular	16
interaction	15
affinity	13
database	13
drug_design	12
receptor	11
bioinformatics	10
free-energy	10
nov09	10
optimization	10
complexes	9
enzyme	9
flexibility	9
prediction	9
screening	9
energy	8
conformation	7
free_energy	7
of	7
palladium	7
similarity	7
carbene	6
cheminformatics	6
evolution	6
free	6
gpcr	6
homology	6
md	6
nhc	6
nmr	6
rna	6
cancer	5
chemistry	5
dna	5
drug_discovery	5
metabolism	5
methods	5
perturbation	5
selex	5
sequence	5
virtual	5
water	5
background	4
bisiminopyridine	4
conformations	4
crystallography	4
cytochrome	4
experiment	4
function	4
heterocycle	4
iridium	4
method	4
molecules	4
network	4
rhodium	4
ruthenium	4
simulation	4
thermodynamics	4
accuracy	3
atrp	3
based	3
binding_site	3
bsc	3
catalysis	3
computational	3
computer	3
contribution	3
discovery	3
entropy	3
evaluation	3
fragment	3
heme	3
ion	3
moad	3
modeling	3
molecule	3
mrna	3
pharmacophore	3
protein-ligand	3
protein_interactions	3
pyridine	3
receptors	3
scoring	3
site	3
specificity	3
technique	3
ti	3
to	3
zinc	3

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