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	Structure-based maximal affinity model predicts small-molecule druggability [My Copy] Nat Biotech, Vol. 25, No. 1. (08 January 2007), pp. 71-75. by Alan C. Cheng, Ryan G. Coleman, Kathleen T. Smyth, et al.Qing Cao, Patricia Soulard, Daniel R. Caffrey, Anna C. Salzberg, Enoch S. Huang posted by 10 people mingzhi flbarroso phoenixzxl ubcg08l sschurer ucbcjbm jerome yeastyboy willpitt higueruelo
	Binding site detection and druggability index from first principles. [My Copy] Journal of medicinal chemistry, Vol. 52, No. 8. (23 April 2009), pp. 2363-2371. by Jesus Seco, F. Javier Luque, Xavier Barril posted by 4 people ubcg08l sschurer higueruelo Klapampfer
	ShaEP: Molecular Overlay Based on Shape and Electrostatic Potential [My Copy] Journal of Chemical Information and Modeling, Vol. 49, No. 2. (23 February 2009), pp. 492-502. by Mikko J. Vainio, Santeri J. Puranen, Mark S. Johnson posted by 5 people superpyrin ubcg08l baker-group sobolevnrm sschurer
	Genomic-scale prioritization of drug targets: the TDR Targets database [My Copy] Nature Reviews Drug Discovery, Vol. 7, No. 11. (17 October 2008), pp. 900-907. by Fernán Agüero, Bissan Al-Lazikani, Martin Aslett, et al.Matthew Berriman, Frederick S. Buckner, Robert K. Campbell, Santiago Carmona, Ian M. Carruthers, Edith A. W. Chan, Feng Chen, Gregory J. Crowther, Maria A. Doyle, Christiane Hertz-Fowler, Andrew L. Hopkins, Gregg Mcallister, Solomon Nwaka, John P. Overington, Arnab Pain, Gaia V. Paolini, Ursula Pieper, Stuart A. Ralph, Aaron Riechers, David S. Roos, Andrej Sali, Dhanasekaran Shanmugam, Takashi Suzuki, Wesley C. Van Voorhis, Christophe L. M. J. Verlinde posted by 6 people bicko ubcg08l sschurer richardbickerton guhjy tmmurali
	New G-protein-coupled receptor crystal structures: insights and limitations. [My Copy] Trends in pharmacological sciences, Vol. 29, No. 2. (February 2008), pp. 79-83. by B. Kobilka, G. F. Schertler posted by 3 people ubcg08l sschurer IrinaMoreira
	Geometry of nonbonded interactions involving planar groups in proteins [My Copy] Progress in Biophysics and Molecular Biology, Vol. 95, No. 1-3. (September 2007), pp. 83-137. by Pinak Chakrabarti, Rajasri Bhattacharyya posted by 2 people ubcg08l massivemayhem
	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 by 8 people ubcg08l mijam richardbickerton pansapiens bicko nanonan massivemayhem higueruelo
	Genome-wide association studies: progress and potential for drug discovery and development [My Copy] Nature Reviews Drug Discovery, Vol. 7, No. 3. (01 February 2008), pp. 221-230. by Stephen F. Kingsmore, Ingrid E. Lindquist, Joann Mudge, Damian D. Gessler, William D. Beavis posted by 8 people phoenixzxl ubcg08l ajaymalik guhjy massivemayhem psique Petersarkies parkinson's disease references
	Integration of fragment screening and library design [My Copy] Drug Discovery Today, Vol. 12, No. 23-24. (December 2007), pp. 1032-1039. by G. Siegal, E. Ab, J. Schultz posted by 2 people ubcg08l massivemayhem
	KEGG for linking genomes to life and the environment. [My Copy] Nucleic acids research, Vol. 36, No. Database issue. (11 January 2008), pp. D480-484. by Minoru Kanehisa, Michihiro Araki, Susumu Goto, et al.Masahiro Hattori, Mika Hirakawa, Masumi Itoh, Toshiaki Katayama, Shuichi Kawashima, Shujiro Okuda, Toshiaki Tokimatsu, Yoshihiro Yamanishi posted by 34 people bertelsen dadiamah ajsferreira Thaverkamp sjcockell JeremyZucker jperkins vkwn pablocarb VGreiff mqbphcw3 karinlag robert85 peterli jjray schwartzjmc ubcg08l allysonlister YukaH Cortel coela daforerog reyez namunet irenas guhjy raiyar barriot renatomilani shung hpaces massivemayhem natstreet TheresaNiederberger
	Genome bioinformatic analysis of nonsynonymous SNPs. [My Copy] BMC bioinformatics, Vol. 8 (20 August 2007), 301. by David F. Burke, Catherine L. Worth, Eva-Maria M. Priego, et al.Tammy Cheng, Luc J. Smink, John A. Todd, Tom L. Blundell posted by 6 people sandfire daforerog bicko ubcg08l guhjy massivemayhem
	A robustness-based approach to systems-oriented drug design [My Copy] Nature Reviews Drug Discovery, Vol. 6, No. 3. (23 February 2007), pp. 202-210. by Hiroaki Kitano posted by 7 people agomez ubcg08l abhishek_tiwari superpyrin bicko massivemayhem higueruelo
	Predicting protein druggability [My Copy] Drug Discovery Today, Vol. 10, No. 23-24. (December 2005), pp. 1675-1682. by P. Hajduk, J. Huth, C. Tse posted by 7 people ubcg08l tjimenez bicko caporaso massivemayhem biomedical-nlp higueruelo
	Structural systems biology: modelling protein interactions. [My Copy] Nature reviews. Molecular cell biology, Vol. 7, No. 3. (March 2006), pp. 188-197. by Patrick Aloy, Robert B. Russell posted by 28 people krapnik flbarroso timg chica Scis0000002 ubcg08l ana aalibes bicko xico dgront drastic choonpeng henschel ruvido massivemayhem cat_worth fishtank iris_2001 gvuister lpfernandes structural_bioinformatics Bioinformatics WetBiology Evangelia higueruelo chad_davis jteyra
	Structural interaction fingerprint (SIFt): a novel method for analyzing three-dimensional protein-ligand binding interactions. [My Copy] J Med Chem, Vol. 47, No. 2. (15 January 2004), pp. 337-344. by Z. Deng, C. Chuaqui, J. Singh posted by 7 people bio_dataminer ubcg08l apostola sangeetha Bioinformatics insilicodrug massivemayhem
	The Protein Data Bank [My Copy] Nucl. Acids Res., Vol. 28, No. 1. (1 January 2000), pp. 235-242. by Helen M. Berman, John Westbrook, Zukang Feng, et al.Gary Gilliland, T. N. Bhat, Helge Weissig, Ilya N. Shindyalov, Philip E. Bourne posted by 53 people loison ubcg08l trishul krapnik barmak7282 viktor21614 badi ucbcjbm TLVincent maria_hauser Martin8223 tomjad Diego_Prada flbarroso Taguan oceanwind dsmueller fisherp semin MarcoAlvarez kumar_physics References for 3DSim paper LamBras RamuAnandakrishnan nlapalu reyez nigham lillekatt thaliana dimka kuhn jwm vavi bicko itmeson dgront caporaso condon aengisch debatebob massivemayhem gisle girschick selrac Radiation_Damage Stressosome biomedical-nlp beta tji higueruelo boris_aguilar sebk timg
	LS-SNP: large-scale annotation of coding non-synonymous SNPs based on multiple information sources. [My Copy] Bioinformatics (Oxford, England), Vol. 21, No. 12. (15 June 2005), pp. 2814-2820. by Rachel Karchin, Mark Diekhans, Libusha Kelly, et al.Daryl J. Thomas, Ursula Pieper, Narayanan Eswar, David Haussler, Andrej Sali posted by 9 people ubcg08l daforerog mattjb massivemayhem cat_worth lpfernandes structural_bioinformatics ComplexAdaptiveSystems DSTO-CAS
	Efficient Drug Lead Discovery and Optimization [My Copy] Accounts of Chemical Research, Vol. 0, No. 0. (0000) by William L. Jorgensen posted by 9 people nanonan tbinbal Thermaneutist McCammon jmccammon superpyrin sschurer baker-group sobolevnrm
	Towards more accurate pharmacophore modeling: Multicomplex-based comprehensive pharmacophore map and most-frequent-feature pharmacophore model of CDK2 [My Copy] Journal of Molecular Graphics and Modelling, Vol. 27, No. 4. (November 2008), pp. 430-438. by J. Zou, H. Xie, S. Yang, J. Chen, J. Ren, Y. Wei posted by 2 people tbinbal sschurer
	A Common Reference Framework for Analyzing/Comparing Proteins and Ligands. Fingerprints for Ligands And Proteins (FLAP): Theory and Application [My Copy] J. Chem. Inf. Model. (9 January 2007) by M. Baroni, G. Cruciani, S. Sciabola, F. Perruccio, J. S. Mason posted by 3 people tbinbal sschurer daevans
	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 by 7 people mijogiffin ubcg08l bicko Yanno daevans higueruelo JALumley
	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 by 8 people JALumley ubcg08l BragilMassoud apaydin kuhn bilab grottenolm thanatos
	The importance of discerning shape in molecular pharmacology. [My Copy] Trends in pharmacological sciences (31 January 2009) by Sandhya Kortagere, Matthew D D. Krasowski, Sean Ekins posted by 3 people tbinbal massivemayhem higueruelo
	LigandScout: 3-D Pharmacophores Derived from Protein-Bound Ligands and Their Use as Virtual Screening Filters [My Copy] J. Chem. Inf. Model., Vol. 45, No. 1. (24 January 2005), pp. 160-169. by G. Wolber, T. Langer posted by 5 people tbinbal superpyrin GermanErlenkamp apostola massivemayhem
	FRAGMENT-BASED LEAD DISCOVERY [My Copy] Nat Rev Drug Discov, Vol. 3, No. 8. (2004), pp. 660-672. by David C. Rees, Miles Congreve, Christopher W. Murray, Robin Carr posted by 4 people tbinbal trmr massivemayhem superpyrin
	Challenges of fragment screening [My Copy] Journal of Computer-Aided Molecular Design, Vol. 23, No. 8. (1 August 2009), pp. 449-451. by Diane Joseph-Mccarthy posted by 4 people klexa higueruelo ubcg08l jerome
	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 by 8 people ihaque Cross Research Group wozzza goncalojustino alfons jerome ubcg08l higueruelo
	Position Specific Interaction Dependent Scoring Technique for Virtual Screening Based on Weighted Protein−Ligand Interaction Fingerprint Profiles [My Copy] Journal of Chemical Information and Modeling, Vol. 49, No. 5. (22 May 2009), pp. 1185-1192. by Ravi K. Nandigam, Sangtae Kim, Juswinder Singh, Claudio Chuaqui posted by 4 people ucbcjbm bio_dataminer massivemayhem sschurer
	‘Metabolite-likeness’ as a criterion in the design and selection of pharmaceutical drug libraries [My Copy] Drug Discovery Today, Vol. 14, No. 1-2. (28 January 2009), pp. 31-40. by P. Dobson, Y. Patel, D. Kell posted by 10 people mingzhi richardbickerton massivemayhem vpenelle jmuhlich lptolik pauldobson sschurer egonw dullhunk
	Distinguishing between Bioactive and Modeled Compound Conformations through Mining of Emerging Chemical Patterns [My Copy] J. Chem. Inf. Model. (13 August 2008) by Jens Auer, Jürgen Bajorath posted by 4 people JALumley massivemayhem sschurer zimbo1
	Targeted scoring functions for virtual screening [My Copy] Drug Discovery Today, Vol. 14, No. 11-12. (05 June 2009), pp. 562-569. by Markus H. J. Seifert posted by 4 people JALumley sschurer Scis0000002 zimbo1
	How Similar Are Similarity Searching Methods? A Principal Component Analysis of Molecular Descriptor Space [My Copy] Journal of Chemical Information and Modeling, Vol. 49, No. 1. (26 January 2009), pp. 108-119. by Andreas Bender, Jeremy L. Jenkins, Josef Scheiber, Sai C. Sukuru, Meir Glick, John W. Davies posted by 8 people ucbcjbm JALumley carlosjavierna zimbo1 jbesnard sschurer sameguy jxl
	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 by 5 people klexa JALumley sschurer BragilMassoud daevans
	Homology modeling in drug discovery: current trends and applications [My Copy] Drug Discovery Today, Vol. 14, No. 13-14. (05 July 2009), pp. 676-683. by Claudio N. Cavasotto, Sharangdhar S. Phatak posted by 3 people agomez jerome sschurer
	Navigating structure-activity landscapes. [My Copy] Drug discovery today, Vol. 14, No. 13-14. (04 July 2009), pp. 698-705. by Jürgen Bajorath, Lisa Peltason, Mathias Wawer, Rajarshi Guha, Michael S. Lajiness, John H. Van Drie posted by 6 people jbesnard Yanno abhishek_tiwari richardbickerton jerome sschurer
	Detection and Assignment of Common Scaffolds in Project Databases of Lead Molecules [My Copy] Journal of Medicinal Chemistry, Vol. 52, No. 2. (22 January 2009), pp. 469-483. by Alex M. Clark, Paul Labute posted by 2 people sschurer jerome
	Gaining Insight into Off-Target Mediated Effects of Drug Candidates with a Comprehensive Systems Chemical Biology Analysis [My Copy] Journal of Chemical Information and Modeling, Vol. 0, No. 0. (0000) by Josef Scheiber, Bin Chen, Mariusz Milik, et al.Sai C. Sukuru, Andreas Bender, Dmitri Mikhailov, Steven Whitebread, Jacques Hamon, Kamal Azzaoui, Laszlo Urban, Meir Glick, John W. Davies, Jeremy L. Jenkins posted by 5 people zimbo1 sschurer jerome jbesnard reyez
	Four-Dimensional Docking: A Fast and Accurate Account of Discrete Receptor Flexibility in Ligand Docking [My Copy] Journal of Medicinal Chemistry, Vol. 52, No. 2. (22 January 2009), pp. 397-406. by Giovanni Bottegoni, Irina Kufareva, Maxim Totrov, Ruben Abagyan posted by 5 people fl sschurer carlosjavierna jerome higueruelo
	Binding similarity network of ligand [My Copy] Proteins: Structure, Function, and Bioinformatics, Vol. 71, No. 2. (2008), pp. 960-971. by Keunwan Park, Dongsup Kim posted by 4 people jerome sschurer sobolevnrm baker-group
	The Scaffold Tree - Visualization of the Scaffold Universe by Hierarchical Scaffold Classification [My Copy] J. Chem. Inf. Model., Vol. 47, No. 1. (22 January 2007), pp. 47-58. by A. Schuffenhauer, P. Ertl, S. Roggo, S. Wetzel, M. A. Koch, H. Waldmann posted by 6 people sschurer jerome mdimmic dgruiz JALumley sithmein
	Handbook of Molecular Descriptors [My Copy] (10 October 2000) by Roberto Todeschini, Viviana Consonni, Raimund Mannhold, Hugo Kubinyi, Hendrik Timmerman posted by 2 people jerome sschurer
	Can we separate active from inactive conformations? [My Copy] Journal of computer-aided molecular design, Vol. 16, No. 2. (February 2002), pp. 105-112. by D. J. Diller, K. M. Merz posted by 3 people JALumley hryk massivemayhem
	Statistical Analysis of the Effects of Common Chemical Substituents on Ligand Potency [My Copy] J. Med. Chem. (4 January 2008) by Philip J. Hajduk, Daryl R. Sauer posted by 4 people jerome massivemayhem higueruelo JALumley
	Halogen BondingA Novel Interaction for Rational Drug Design? [My Copy] Journal of Medicinal Chemistry, Vol. 52, No. 9. (14 May 2009), pp. 2854-2862. by Yunxiang Lu, Ting Shi, Yong Wang, et al.Huaiyu Yang, Xiuhua Yan, Xiaoming Luo, Hualiang Jiang, Weiliang Zhu posted by 3 people massivemayhem higueruelo jerome
	Using Cocrystals To Systematically Modulate Aqueous Solubility and Melting Behavior of an Anticancer Drug [My Copy] Journal of the American Chemical Society, Vol. 131, No. 47. (2 December 2009), pp. 17048-17049. by Christer B. Aakeröy, Safiyyah Forbes, John Desper posted by 1 person hmx
	Therapeutic microRNA Delivery Suppresses Tumorigenesis in a Murine Liver Cancer Model [My Copy] Cell, Vol. 137, No. 6. (12 June 2009), pp. 1005-1017. by Janaiah Kota,, Raghu .. Chivukula,, Kathryn .. O'Donnell,, et al.Erik .. Wentzel,, Chrystal .. Montgomery,, Hun-Way Hwang,, Tsung-Cheng Chang,, Perumal Vivekanandan,, Michael Torbenson,, K. e. e. d. Clark, posted by 4 people hmx guhjy ericsuh valeriehilgers
	Defrosting the Digital Library: Bibliographic Tools for the Next Generation Web [My Copy] PLoS Comput Biol, Vol. 4, No. 10. (31 October 2008), e1000204. by Duncan Hull, Steve R. Pettifer, Douglas B. Kell posted by 237 people birukou voronov marekrud chriswillmott richardbickerton jrifon sobolevnrm bsamal anitastreicher hmx danilov iskanbasal cgl colombet Parenting 2.0 hughesro gbouma welliegirl Dentistry suribe mordiano operon Horduna cyrille IgorP sachingarg claudiushauptmann ianturton tech4trainers radagabriel mfenner Zotero en español jalonsoarevalo StemCellWorkstation martica840527 agbiotec LinaMelo claudine acabezas aaltenburger sarelfa Anita13 Dannycoutinho tmar lucybuykx ltitodem dcombe christianholz schoeband dgovoni maren antonkratz mzkbnt girabbit mawds tlb56 sstose klexa n00c slr52 Journal picks jandot applebyb timhubbard yangjustinc CameronNeylon heliopais sarabatts aldra Prlwrlczkwsky CPAP amyfyn vellino ulrichs malkav30 cristiangutierrez rockrescue victorantoniomtz Tita NancyAbigail Nembrod jclau clarabermudez tanyacovi6 Health_Informatics jmohan polivares artaban421 nperoni eudominguezmartin nhoussos MARCOUNAM carelcad euanlawson furlong stevepettifer flipip23 virolog ZoeThomas pawelsobko tnhh kbkbk8 rickl nellapower mcentyre wujastyk beanformer msanchof2009 Herramientas20 dmaweb bhengeveld jpgrolle wsumthai daforerog Semantic-Social-Networks INK-SSCI-SCI@CiteuLike.org INK-SSCI-SCI quianominorleo tux2000 cogs eLearning in Leicester AJCann robsyme anthrogeek lmichan sainsworth hkimura western4uk cybob10 kevinemamy akriesch williamgunn mgh-lcs carlblesius NaCTeM Effie alhoori mikel_egana tilanka coldmeadow yas Tomste mseyfang fitzgeraldp2 fungal eduardod5 DavidG67 chenlc03 stempvoort lesikv jmueller17 sirexkat Koh akraemer thegoose kharke niallhaslam rdmagnuson JuanGiarrizzo pkonings jennialp lgibson rmasur GJNauta puchu rrbarb amarois mneeley MEHTRadiology dr_lee_xray IRTADOC zilvlan curthh mount_misery narroyo rdiaz treangen hpaces bumatic BerndBerndsen Département Hypermédia - Master NET esterhasz phreeza dbk rempeljl teachingaging cs02 joseph_x_zhou continea Rosetta fletchad Betelgeuse60 tomroper 1971biblio timrwatkins rschulz JLab BergmanLab cisevol ryan smithrise silberbauer natstreet pick600 xjlibod ukppdadsr robertlischke bookwormzz NIlz junwang4 taguchi tag McCammon barry kristgy caseybrown Gaetan bcondon lynnefox nuin sdgsilvana ckai1 guhjy neils norris Poverty Alleviation from Access to Knowledge jago druvus emayorga GeeSharpMinor fgibson structural_bioinformatics chad_davis Roswell Cancer Crosstalk Zephyrus leonardo dullhunk
	Scaffold-hopping potential of fragment-based de novo design: the chances and limits of variation. [My Copy] Combinatorial chemistry & high throughput screening, Vol. 12, No. 4. (May 2009), pp. 383-396. by Bjoern A. Krueger, Axel Dietrich, Karl-Heinz H. Baringhaus, Gisbert Schneider posted by 3 people oteri ubcg08l reyez
	Drug discovery using chemical systems biology: identification of the protein-ligand binding network to explain the side effects of CETP inhibitors. [My Copy] PLoS computational biology, Vol. 5, No. 5. (15 May 2009), e1000387. by Li Xie, Jerry Li, Lei Xie, Philip E. Bourne posted by 7 people ubcg08l flbarroso McCammon jmccammon reyez barry dolchan
	Robust NMR Screening for Lead Compounds Using Tryptophan-Containing Proteins [My Copy] Journal of the American Chemical Society, Vol. 0, No. 0. (0000) by Michal Bista, Kaja Kowalska, Weronika Janczyk, Alexander Dömling, Tad A. Holak posted by 2 people higueruelo ubcg08l
	Conformational analysis from crystallographic data using conceptual clustering [My Copy] Acta Crystallographica Section B, Vol. 52, No. 3. (Jun 1996), pp. 535-549. by D. Conklin, S. Fortier, J. I. Glasgow, F. H. Allen posted by 1 person ubcg08l
	Cluster analysis of molecular conformations [My Copy] Journal of Computational Chemistry, Vol. 15, No. 8. (1994), pp. 899-916. by Peter S. Shenkin, Quentin D. Mcdonald posted by 1 person ubcg08l
	Docking for fragment inhibitors of AmpC beta-lactamase. [My Copy] Proceedings of the National Academy of Sciences of the United States of America, Vol. 106, No. 18. (5 May 2009), pp. 7455-7460. by D. G. Teotico, K. Babaoglu, G. J. Rocklin, R. S. Ferreira, A. M. Giannetti, B. K. Shoichet posted by 3 people ubcg08l baker-group sobolevnrm
	Quantitative comparison of molecular electrostatic potential distributions from several semiempirical and <I>ab initio</I> wave functions [My Copy] Journal of Computational Chemistry, Vol. 14, No. 8. (1993), pp. 922-927. by Jesús Rodríguez, Francesc Manaut, Ferran Sanz posted by 1 person ubcg08l
	Using molecular electrostatic potential maps for similarity studies [My Copy] Molecular Similarity II (1995), pp. 45-71. by Gyula Tasi, István Pálinkó posted by 2 people flbarroso ubcg08l
	Ab initio Molecular Electrostatic Potential Grid Maps for Quantitative Similarity Calculations of Organic Compounds [My Copy] Journal of Molecular Modeling, Vol. 6, No. 4. (17 April 2000), pp. 425-432. by Gerhard Buchbauer, Alexander Klinsky, Petra Weiß-Greiler, Peter Wolschann posted by 1 person ubcg08l
	Computational Methods for Predicting Sites of Functionally Important Dynamics [My Copy] The Journal of Physical Chemistry B, Vol. 0, No. 0. (0000) by Adam D. Schuyler, Heather A. Carlson, Eva L. Feldman posted by 7 people skywalkerus02 agrossfield ubcg08l higueruelo barry baker-group sobolevnrm
	Identification of computational hot spots in protein interfaces: combining solvent accessibility and inter-residue potentials improves the accuracy [My Copy] Bioinformatics, Vol. 25, No. 12. (15 June 2009), pp. 1513-1520. by Nurcan Tuncbag, Attila Gursoy, Ozlem Keskin posted by 8 people okapi dfdong ubcg08l marti apaydin structural_bioinformatics kshameer phoenixzxl
	Enzymes and Curvature [My Copy] Angewandte Chemie International Edition in English, Vol. 27, No. 7. (1988), pp. 953-956. by Zoltan Blum, Sven Lidin, Sten Andersson posted by 1 person ubcg08l
	Differential geometry of proteins: A structural and dynamical representation of patterns [My Copy] Journal of Theoretical Biology, Vol. 98, No. 2. (21 September 1982), pp. 189-209. by A. Louie, R. Somorjai posted by 1 person ubcg08l
	Direct optical detection in fragment-based screening [My Copy] Analytical and Bioanalytical Chemistry, Vol. 393, No. 6. (1 March 2009), pp. 1557-1562. by Florian Pröll, Peter Fechner, Günther Proll posted by 1 person ubcg08l
	Transcription-Factor Mutations and Disease [My Copy] N Engl J Med, Vol. 334, No. 1. (4 January 1996), pp. 28-33. by David S. Latchman posted by 1 person ubcg08l
	Transcription factors as potential targets for therapeutic drugs. [My Copy] Current pharmaceutical biotechnology, Vol. 1, No. 1. (July 2000), pp. 57-61. by D. S. Latchman posted by 1 person ubcg08l
	Lessons for fragment library design: analysis of output from multiple screening campaigns. [My Copy] Journal of computer-aided molecular design, Vol. 23, No. 8. (3 June 2009), pp. 603-620. by I-Jen J. Chen, Roderick E. Hubbard posted by 1 person ubcg08l
	Enhanced sampling in molecular dynamics: use of the time-dependent Hartree approximation for a simulation of carbon monoxide diffusion through myoglobin [My Copy] Journal of the American Chemical Society, Vol. 112, No. 25. (1 December 1990), pp. 9161-9175. by R. Elber, M. Karplus posted by 3 people sunnytov ubcg08l gcottone
	Quantum Isostere Database: A Web-Based Tool Using Quantum Chemical Topology To Predict Bioisosteric Replacements for Drug Design [My Copy] Journal of Chemical Information and Modeling, Vol. 49, No. 6. (22 June 2009), pp. 1497-1513. by Mike Devereux, Paul L. A. Popelier, Iain M. McLay posted by 4 people ubcg08l pauldobson ima alfons
	Tautomerism of guanidines studied by 15N NMR: 2-hydrazono-3-phenylquinazolin-4(3H)-ones and related compounds [My Copy] In Org. Biomol. Chem., Vol. 7, No. 19. (2009), pp. 4110-4119. by Ion Ghiviriga, Bahaa E. El-Gendy, Peter J. Steel, Alan R. Katritzky posted by 1 person ubcg08l
	Heterocyclic tautomerism. VI. A redetermination and reassignment of the structure of 2-aminothiazol-4(5 H)-one (pseudothiohydantoin) [My Copy] Acta Crystallographica Section C, Vol. 50, No. 11. (Nov 1994), pp. 1721-1723. by P. J. Steel, J. A. M. Guard posted by 1 person ubcg08l
	New horizons in molecular informatics [My Copy] In Org. Biomol. Chem., Vol. 2, No. 22. (2004), pp. E5-E6. posted by 1 person ubcg08l
	A study of annular tautomerism, interannular conjugation, and methylation reactions of ortho-substituted-5-aryltetrazoles using carbon-13 and hydrogen-1 n.m.r. Spectroscopy [My Copy] In J. Chem. Soc., Perkin Trans. 1 (1981), pp. 390-393. by Richard N. Butler, Victor C. Garvin posted by 1 person ubcg08l
	Annular tautomerism in nitrogen heterocycles. Part I. Tetrazoles [My Copy] In J. Chem. Soc., B: (1969), pp. 1240-1244. by M. Charton posted by 1 person ubcg08l
	The annular tautomerism of 4(5)-phenylimidazole [My Copy] In J. Chem. Soc., Perkin Trans. 2, No. 3. (2002), pp. 564-568. by Rosa M. Claramunt, Maria D. Maria, Lourdes Infantes, Felix H. Cano, Jose Elguero posted by 1 person ubcg08l
	How Aromaticity Affects the Chemical and Physicochemical Properties of Heterocycles: A Computational Approach [My Copy] In Aromaticity in Heterocyclic Compounds, Vol. 19 (2009), pp. 155-202. by I. Alkorta, J. Elguero edited by Tadeusz M. Krygowski, Michał K. Cyrański posted by 1 person ubcg08l
	The annular tautomerism of imidazoles and pyrazoles: The possible existence of nonaromatic forms [My Copy] Structural Chemistry In Structural Chemistry, Vol. 17, No. 4. (1 August 2006), pp. 439-444. by Ibon Alkorta, José Elguero, Joel Liebman posted by 1 person ubcg08l
	Energies and alkylations of tautomeric heterocyclic compounds: old problems - new answers [My Copy] In Accounts of Chemical Research, Vol. 10, No. 5. (1 May 1977), pp. 186-192. by Peter Beak posted by 1 person ubcg08l
	Theoretical estimation of the annular tautomerism of indazoles [My Copy] Journal of Physical Organic Chemistry, Vol. 18, No. 8. (2005), pp. 719-724. by Ibon Alkorta, José Elguero posted by 1 person ubcg08l
	Advanced Exact Structure Searching in Large Databases of Chemical Compounds [My Copy] Journal of Chemical Information and Computer Sciences, Vol. 43, No. 3. (1 May 2003), pp. 852-860. by Sergey V. Trepalin, Andrey V. Skorenko, Konstantin V. Balakin, et al.Anatoly F. Nasonov, Stanley A. Lang, Andrey A. Ivashchenko, Nikolay P. Savchuk posted by 1 person ubcg08l
	Differential Geometry and Polymer Conformation. 2. Development of a Conformational Distance Function [My Copy] Macromolecules, Vol. 13, No. 6. (1 November 1980), pp. 1440-1453. by S. Rackovsky, H. A. Scheraga posted by 1 person ubcg08l
	Repeat protein architectures predicted by a continuum representation of fold space. [My Copy] Protein science : a publication of the Protein Society, Vol. 15, No. 4. (April 2006), pp. 753-760. by Andrew C. Hausrath, Alain Goriely posted by 1 person ubcg08l
	Continuous representations of proteins: Construction of coordinate models from curvature profiles [My Copy] Journal of Structural Biology, Vol. 158, No. 3. (June 2007), pp. 267-281. by A. C. Hausrath, A. Goriely posted by 1 person ubcg08l
	Efficient identification and analysis of substructures in proteins using the kappa-tau framework: left turns and helix c-cap motifs. [My Copy] Journal of biomolecular structure & dynamics, Vol. 17, No. 6. (June 2000), pp. 965-979. by D. M. Soumpasis, M. C. Strahm posted by 1 person ubcg08l
	The Protein Universes [My Copy] Power Laws, Scale-Free Networks and Genome Biology (2006), pp. 194-205. by S. Rackovsky posted by 1 person ubcg08l
	Differential geometry of proteins. Helical approximations. [My Copy] Journal of molecular biology, Vol. 168, No. 1. (25 July 1983), pp. 143-162. by A. H. Louie, R. L. Somorjai posted by 1 person ubcg08l
	Differential Geometry and Polymer Conformation. 1. Comparison of Protein Conformations1a,b [My Copy] Macromolecules, Vol. 11, No. 6. (1 November 1978), pp. 1168-1174. by S. Rackovsky, H. A. Scheraga posted by 1 person ubcg08l
	Differential geometry and protein folding [My Copy] Accounts of Chemical Research, Vol. 17, No. 6. (1 June 1984), pp. 209-214. by S. Rackovsky, H. A. Scheraga posted by 1 person ubcg08l
	Description and Recognition of Regular and Distorted Secondary Structures in Proteins Using the Automated Protein Structure Analysis Method [My Copy] (24 Nov 2008) by S. Ranganathan, D. Izotov, E. Kraka, D. Cremer posted by 1 person ubcg08l
	The role of dynamic conformational ensembles in biomolecular recognition [My Copy] Nature Chemical Biology, Vol. 5, No. 11. (10 October 2009), pp. 789-796. by David D. Boehr, Ruth Nussinov, Peter E. Wright posted by 4 people skywalkerus02 higueruelo ubcg08l paulschlesinger
	Structural plasticity and catalysis regulation of a thermosensor histidine kinase. [My Copy] Proceedings of the National Academy of Sciences of the United States of America, Vol. 106, No. 38. (22 September 2009), pp. 16185-16190. by Daniela Albanesi, Mariana Martín, Felipe Trajtenberg, et al.María C. Mansilla, Ahmed Haouz, Pedro M. Alzari, Diego de Mendoza, Alejandro Buschiazzo posted by 1 person ubcg08l
	Development and validation of a genetic algorithm for flexible docking [My Copy] Journal of Molecular Biology, Vol. 267, No. 3. (04 April 1997), pp. 727-748. by G. Jones posted by 1 person ubcg08l
	TINS, Target Immobilized NMR Screening: An Efficient and Sensitive Method for Ligand Discovery [My Copy] Chemistry & Biology, Vol. 12, No. 2. (February 2005), pp. 207-216. by Sophie Vanwetswinkel, Robert J. Heetebrij, John van Duynhoven, et al.Johan G. Hollander, Dmitri V. Filippov, Philip J. Hajduk, Gregg Siegal posted by 1 person ubcg08l
	Fragment screening by biochemical assay [My Copy] Expert Opinion on Drug Discovery (August 2006), pp. 225-236. by John Barker, Steve Courtney, Thomas Hesterkamp, Dirk Ullmann, Mark Whittaker posted by 1 person ubcg08l
	Organic solvents identify specific ligand binding sites on protein surfaces [My Copy] Nat Biotech, Vol. 15, No. 3. (March 1997), pp. 264-268. by Edvards Liepinsh, Gottfried Otting, Edvards Liepinsh, Gottfried Otting posted by 1 person ubcg08l
	Multiple Solvent Crystal Structures: Probing Binding Sites, Plasticity and Hydration [My Copy] Journal of Molecular Biology, Vol. 357, No. 5. (14 April 2006), pp. 1471-1482. by Carla Mattos, Cornelia R. Bellamacina, Ezra Peisach, et al.Antonio Pereira, Dennis Vitkup, Gregory A. Petsko, Dagmar Ringe posted by 1 person ubcg08l
	The development of versions 3 and 4 of the Cambridge Structural Database System [My Copy] Journal of Chemical Information and Computer Sciences, Vol. 31, No. 2. (1 May 1991), pp. 187-204. by Frank H. Allen, John E. Davies, Jean J. Galloy, et al.Owen Johnson, Olga Kennard, Clare F. Macrae, Eleanor M. Mitchell, Gary F. Mitchell, J. Michael Smith, David G. Watson posted by 1 person ubcg08l
	A computational procedure for determining energetically favorable binding sites on biologically important macromolecules [My Copy] Journal of Medicinal Chemistry, Vol. 28, No. 7. (1 July 1985), pp. 849-857. by P. J. Goodford posted by 1 person ubcg08l
	Real Lives and White Lies in the Funding of Scientific Research [My Copy] PLoS Biol, Vol. 7, No. 9. (15 September 2009), e1000197. by Peter A. Lawrence posted by 55 people danilov sfalsharif Geknitics Horduna ahmetbakan tsjipko Zephyrus JLab polivares ubcg08l Convention on Knowledge Commons ePortfolio jago Laurentjp pmcarlton nuin Yanno CulCog McCammon barry rodney dmnapolitano Caronte daveGerrard sobolevnrm cyounkin jshigh maren BergmanLab cisevol MurphysLab Khavkin's lab ArtemPankin ifiokoye jclau reyez lilith ngehlenborg eisdur tnhh antonkratz samjlord Torsten_Holmer ommachi rdiaz druvus Borelli pedromts renatomilani Mycology stajich chriswillmott dullhunk Journal picks ppgardne
	The flexible pocketome engine for structural chemogenomics. [My Copy] Methods in molecular biology (Clifton, N.J.), Vol. 575 (2009), pp. 249-279. by Ruben Abagyan, Irina Kufareva posted by 1 person ubcg08l
	Locating and characterizing binding sites on proteins [My Copy] Nat Biotech, Vol. 14, No. 5. (May 1996), pp. 595-599. by Carla Mattos, Dagmar Ringe posted by 1 person ubcg08l
	Novel druggable hot spots in avian influenza neuraminidase H5N1 revealed by computational solvent mapping of a reduced and representative receptor ensemble. [My Copy] Chemical biology & drug design, Vol. 71, No. 2. (February 2008), pp. 106-116. by Melissa R. Landon, Rommie E. Amaro, Riccardo Baron, et al.Chi Ho H. Ngan, David Ozonoff, J. Andrew McCammon, Sandor Vajda posted by 1 person ubcg08l
	On the deformation of fluctuating chiral ribbons [My Copy] EPL (Europhysics Letters), Vol. 57, No. 4. (2002), pp. 512-518. by S. Panyukov, Y. Rabin posted by 1 person ubcg08l