vaibhavdixit4's Top Recommendations

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	Ligand efficiency and fragment-based drug discovery. [My Copy] Drug discovery today, Vol. 14, No. 5-6. (30 March 2009), pp. 278-283. by Scott D. Bembenek, Brett A. Tounge, Charles H. Reynolds posted by 4 people higueruelo jerome sschurer pslee
	A decade of fragment-based drug design: strategic advances and lessons learned [My Copy] Nat Rev Drug Discov, Vol. 6, No. 3. (09 March 2007), pp. 211-219. by Philip J. Hajduk, Jonathan Greer posted by 8 people ubcg08l jerome Fragment Based Drug Discovery pslee dgruiz bicko massivemayhem jerome_ucsf_slb
	Structural diversity of G protein-coupled receptors and significance for drug discovery [My Copy] Nature Reviews Drug Discovery, Vol. 7, No. 4., pp. 339-357. by Malin C. Lagerström, Helgi B. Schiöth posted by 7 people leocmcheung yuslinaz jerome guhjy nprcrzy fernan superpyrin
	Estimation of synthetic accessibility score of drug-like molecules based on molecular complexity and fragment contributions [My Copy] Journal of Cheminformatics, Vol. 1, No. 1. (2009), 8. by Peter Ertl, Ansgar Schuffenhauer posted by 1 person jerome
	French/European academic compound library initiative [My Copy] Drug Discovery Today, Vol. 14, No. 15-16. (09 August 2009), pp. 723-725. by Marcel F. Hibert posted by 1 person jerome
	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
	Drug discovery chemistry: a primer for the non-specialist. [My Copy] Drug discovery today, Vol. 14, No. 15-16. (2 August 2009), pp. 731-744. by Allan M. Jordan, Stephen D. Roughley posted by 6 people richardbickerton pmung zimbo1 jerome McCammon jmccammon
	Healthy skepticism: assessing realistic model performance [My Copy] Drug Discovery Today, Vol. 14, No. 7-8. (April 2009), pp. 420-427. by Scott P. Brown, Steven W. Muchmore, Philip J. Hajduk posted by 1 person jerome
	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
	Structure-Based Design and Synthesis of Macroheterocyclic Peptidomimetic Inhibitors of the Aspartic Protease β-Site Amyloid Precursor Protein Cleaving Enzyme (BACE) [My Copy] Journal of Medicinal Chemistry, Vol. 49, No. 15. (1 July 2006), pp. 4544-4567. by Stephen Hanessian, Gaoqiang Yang, Jean-Michel Rondeau, Ulf Neumann, Claudia Betschart, Marina Tintelnot-Blomley posted by 1 person jerome
	Fluorine in Medicinal Chemistry [My Copy] ChemBioChem, Vol. 5, No. 5. (2004), pp. 637-643. by Hans-Joachim Böhm, David Banner, Stefanie Bendels, et al.Manfred Kansy, Bernd Kuhn, Klaus Müller, Ulrike Obst-Sander, Martin Stahl posted by 2 people allmensch jerome
	Tyramine fragment binding to BACE-1 [My Copy] Bioorganic & Medicinal Chemistry Letters, Vol. 18, No. 4. (15 February 2008), pp. 1304-1307. by A. Kuglstatter, M. Stahl, J. Peters, et al.W. Huber, M. Stihle, D. Schlatter, J. Benz, A. Ruf, D. Roth, T. Enderle posted by 1 person jerome
	APP binds DR6 to trigger axon pruning and neuron death via distinct caspases [My Copy] Nature, Vol. 457, No. 7232. (19 February 2009), pp. 981-989. by Anatoly Nikolaev, Todd Mclaughlin, Dennis D. O/'leary, Marc Tessier-Lavigne posted by 4 people fool_on_hill chiufanlee jerome rwdaniels
	A Novel Mechanism of G Protein-coupled Receptor Functional Selectivity: MUSCARINIC PARTIAL AGONIST McN-A-343 AS A BITOPIC ORTHOSTERIC/ALLOSTERIC LIGAND [My Copy] J. Biol. Chem., Vol. 283, No. 43. (24 October 2008), pp. 29312-29321. by Celine Valant, Karen J. Gregory, Nathan E. Hall, et al.Peter J. Scammells, Michael J. Lew, Patrick M. Sexton, Arthur Christopoulos posted by 1 person jerome
	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
	OSIRIS, an Entirely in-House Developed Drug Discovery Informatics System [My Copy] Journal of Chemical Information and Modeling In Journal of Chemical Information and Modeling, Vol. 49, No. 2. (23 February 2009), pp. 232-246. by Thomas Sander, Joel Freyss, Modest von Korff, Jacqueline R. Reich, Christian Rufener posted by 5 people agomez JALumley zimbo1 jerome reyez
	Binding Site Similarity Analysis for the Functional Classification of the Protein Kinase Family [My Copy] Journal of Chemical Information and Modeling, Vol. 49, No. 2. (23 February 2009), pp. 318-329. by Sarah L. Kinnings, Richard M. Jackson posted by 6 people mnishimu nickolay Klapampfer carlosjavierna jerome reyez
	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
	Putting the Predictive Toxicology Challenge into perspective: reflections on the results. [My Copy] Bioinformatics (Oxford, England), Vol. 19, No. 10. (1 July 2003), pp. 1194-1200. by R. Benigni, A. Giuliani posted by 1 person jerome
	Knowledge discovery and data mining in toxicology. [My Copy] Statistical methods in medical research, Vol. 9, No. 4. (August 2000), pp. 329-358. by C. Helma, E. Gottmann, S. Kramer posted by 1 person jerome
	In silico prediction of drug toxicity [My Copy] Journal of Computer-Aided Molecular Design, Vol. 17, No. 2. (1 February 2003), pp. 119-127. by John C. Dearden posted by 1 person jerome
	In silico prediction of drug toxicity. [My Copy] Journal of computer-aided molecular design, Vol. 17, No. 2-4. (r 2003), pp. 119-127. by J. C. Dearden posted by 1 person jerome
	Computer prediction of possible toxic action from chemical structure: an update on the DEREK system [My Copy] Toxicology, Vol. 106, No. 1-3. (08 January 1996), pp. 267-279. by J. Ridings posted by 1 person jerome
	Network pharmacology: the next paradigm in drug discovery [My Copy] Nat Chem Biol, Vol. 4, No. 11. (November 2008), pp. 682-690. by Andrew L. Hopkins posted by 8 people flbarroso michaelbarton sg45653 richardbickerton Yanno bicko ramensky jerome
	Strategies for compound selection. [My Copy] Current drug discovery technologies, Vol. 1, No. 3. (October 2004), pp. 211-220. by M. M. Olah, C. G. Bologa, T. I. Oprea posted by 1 person jerome
	Natural products as leads to potential drugs: an old process or the new hope for drug discovery? [My Copy] Journal of medicinal chemistry, Vol. 51, No. 9. (8 May 2008), pp. 2589-2599. by D. J. Newman posted by 2 people jerome jerome_ucsf_slb
	Generation of a Set of Simple, Interpretable ADMET Rules of Thumb [My Copy] J. Med. Chem., Vol. 51, No. 4. (28 February 2008), pp. 817-834. by Paul M. Gleeson posted by 2 people jerome middledomain
	Discovery of Power-Laws in Chemical Space [My Copy] J. Chem. Inf. Model. (4 June 2008) by Ryan W. Benz, Joshua S. Swamidass, Pierre Baldi posted by 1 person jerome
	Use of computer-assisted prediction of toxic effects of chemical substances [My Copy] Toxicology, Vol. 224, No. 1-2. (5 July 2006), pp. 156-162. by Brigitte Simon-Hettich, Andreas Rothfuss, Thomas Steger-Hartmann posted by 2 people jerome girschick
	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
	The Trouble with QSAR (or How I Learned To Stop Worrying and Embrace Fallacy) [My Copy] Journal of Chemical Information and Modeling, Vol. 48, No. 1. (1 January 2008), pp. 25-26. by Stephen R. Johnson posted by 7 people alexhakkinen klexa jerome daevans skydream Cheminformatics elvinado
	Protein therapeutics: a summary and pharmacological classification [My Copy] Nature Reviews Drug Discovery, Vol. 7, No. 1., pp. 21-39. by Benjamin Leader, Quentin J. Baca, David E. Golan posted by 2 people jerome guhjy
	G-protein-coupled receptors: Crystal clear [My Copy] Nature Reviews Drug Discovery, Vol. 7, No. 1., pp. 19-19. by Charlotte Harrison posted by 2 people jerome psique
	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
	Target deconvolution strategies in drug discovery [My Copy] Nature Reviews Drug Discovery, Vol. 6, No. 11., pp. 891-903. by Georg C. Terstappen, Christina Schlüpen, Roberto Raggiaschi, Giovanni Gaviraghi posted by 2 people jerome guhjy
	Fluorine in Pharmaceuticals: Looking Beyond Intuition [My Copy] Science, Vol. 317, No. 5846. (28 September 2007), pp. 1881-1886. by Klaus Muller, Christoph Faeh, Francois Diederich posted by 5 people jerome allmensch sobolevnrm baker-group ivke
	Bio-ontologies-fast and furious. [My Copy] Nat Biotechnol, Vol. 22, No. 6. (June 2004), pp. 773-774. by J. Blake posted by 3 people jerome irenas dbk-lab
	Overhauling the PDB. [My Copy] Nature biotechnology, Vol. 25, No. 4. (April 2007), pp. 437-442. by Amanda C. Schierz, Larisa N. Soldatova, Ross D. King posted by 5 people daforerog dullhunk jerome viktor21614 bicko
	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
	Bayesian Interpretation of a Distance Function for Navigating High-Dimensional Descriptor Spaces [My Copy] J. Chem. Inf. Model., Vol. 47, No. 1. (22 January 2007), pp. 39-46. by M. Vogt, J. W. Godden, J. Bajorath posted by 3 people jerome daevans sithmein
	Drugs in other drugs: a new look at drugs as fragments [My Copy] Drug Discovery Today, Vol. 12, No. 1-2. (January 2007), pp. 71-79. by Miles G. Siegel, Michal Vieth posted by 3 people jerome JALumley jerome_ucsf_slb
	Multi-target therapeutics: when the whole is greater than the sum of the parts. [My Copy] Drug discovery today, Vol. 12, No. 1-2. (January 2007), pp. 34-42. by G. R. Zimmermann, J. Lehár, C. T. Keith posted by 6 people richardbickerton sameersoi rmk jerome guhjy schuylrp
	Drug-target identification in Drosophila cells: combining high-throughout RNAi and small-molecule screens [My Copy] Drug Discovery Today, Vol. 12, No. 1-2. (January 2007), pp. 28-33. by Norbert Perrimon, Adam Friedman, Bernard Mathey-Prevot, Ulrike S. Eggert posted by 2 people jerome guhjy
	Statistical practice in high-throughput screening data analysis. [My Copy] Nature biotechnology, Vol. 24, No. 2. (07 February 2006), pp. 167-175. by Nathalie Malo, James A. Hanley, Sonia Cerquozzi, Jerry Pelletier, Robert Nadon posted by 9 people Bioinformatics aviad_work jerome Yanno Ayest lujiec cckan rmk ThinkBridge
	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
	Are the current ontologies in biology good ontologies? [My Copy] Nature Biotechnology, Vol. 23, No. 9. (01 September 2005), pp. 1095-1098. by Larisa N. Soldatova, Ross D. King posted by 23 people operon Life Sciences Semantic Web (LSSW) mikel_egana dagmar vkwn jerome irenas Yanno wcrosbie yas dullhunk onca anon_pl mhucka jmuhlich leechuck pablomendes dbk-lab Wikipedia CoP_CMS T_lab peterli dansullivanblk
	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 by 6 people jerome BragilMassoud sangeetha Bioinformatics insilicodrug sithmein
	Sensor and Data Fusion Concepts and Applications (Tutorial Texts in Optical Engineering, Vol Tt14) [My Copy] (01 August 1993) by Lawrence A. Klein posted by 1 person jerome
	Pharmacophore Perception, Development, and Use in Drug Design (Iul Biotechnology Series) [My Copy] (01 February 2000) by Osman F. Guner posted by 2 people jerome JALumley
	Application of machine learning to improve the results of high-throughput docking against the HIV-1 protease. [My Copy] J Chem Inf Comput Sci, Vol. 44, No. 6. (c 2004), pp. 2216-2224. by A. E. Klon, M. Glick, J. W. Davies posted by 2 people jerome sithmein
	Making large-scale support vector machine learning practical [My Copy] In Advances in Kernel Methods: Support Vector Machines (1998) by T. Joachims edited by C. B. Schölkopf posted by 5 people jerome chad_davis gkvas lp2 teesid
	Combination of fingerprint-based similarity coefficients using data fusion. [My Copy] J Chem Inf Comput Sci, Vol. 43, No. 2. (r 2003), pp. 435-442. by N. Salim, J. Holliday, P. Willett posted by 2 people eab5173 jerome
	Combination of molecular similarity measures using data fusion [My Copy] Perspectives in Drug Discovery and Design, Vol. 20, No. 1. (January 2000), pp. 1-16. by Claire M. Ginn, Peter Willett, John Bradshaw posted by 1 person jerome
	Heuristics for similarity searching of chemical graphs using a maximum common edge subgraph algorithm. [My Copy] J Chem Inf Comput Sci, Vol. 42, No. 2. (r 2002), pp. 305-316. by J. W. Raymond, E. J. Gardiner, P. Willett posted by 2 people jerome nachtalp
	"Lead hopping". Validation of topomer similarity as a superior predictor of similar biological activities. [My Copy] J Med Chem, Vol. 47, No. 27. (30 December 2004), pp. 6777-6791. by R. D. Cramer, R. J. Jilek, S. Guessregen, S. J. Clark, B. Wendt, R. D. Clark posted by 1 person jerome
	Algorithm for naming molecular equivalence classes represented by labeled pseudographs. [My Copy] J Chem Inf Comput Sci, Vol. 41, No. 1. (b 2001), pp. 181-185. by Y. Xu, M. Johnson posted by 1 person jerome
	Using molecular equivalence numbers to visually explore structural features that distinguish chemical libraries. [My Copy] J Chem Inf Comput Sci, Vol. 42, No. 4. (g 2002), pp. 912-926. by Y. J. Xu, M. Johnson posted by 1 person jerome
	The properties of known drugs. 1. Molecular frameworks. [My Copy] J Med Chem, Vol. 39, No. 15. (19 July 1996), pp. 2887-2893. by G. W. Bemis, M. A. Murcko posted by 2 people jerome_ucsf_slb jerome
	Data shaving: a focused screening approach. [My Copy] J Chem Inf Comput Sci, Vol. 44, No. 2. (r 2004), pp. 470-479. by S. K. Schreyer, C. N. Parker, G. M. Maggiora posted by 1 person jerome
	Similarity searching in files of three-dimensional chemical structures: analysis of the BIOSTER database using two-dimensional fingerprints and molecular field descriptors [My Copy] J Chem Inf Comput Sci, Vol. 40, No. 2. (March 2000), pp. 295-307. by A. Schuffenhauer, V. J. Gillet, P. Willett posted by 5 people JALumley jerome sangeetha Bioinformatics insilicodrug
	Why do we need so many chemical similarity search methods? [My Copy] Drug Discov Today, Vol. 7, No. 17. (1 September 2002), pp. 903-911. by R. P. Sheridan, S. K. Kearsley posted by 1 person jerome
	Measuring CAMD technique performance: a virtual screening case study in the design of validation experiments. [My Copy] J Comput Aided Mol Des, Vol. 18, No. 7-9. (p 2004), pp. 529-536. by A. C. Good, M. A. Hermsmeier, S. A. Hindle posted by 1 person jerome
	Descriptors you can count on? Normalized and filtered pharmacophore descriptors for virtual screening. [My Copy] J Comput Aided Mol Des, Vol. 18, No. 7-9. (p 2004), pp. 523-527. by A. C. Good, S. J. Cho, J. S. Mason posted by 4 people jerome sangeetha Bioinformatics insilicodrug
	A 3D Similarity Method for Scaffold Hopping from Known Drugs or Natural Ligands to New Chemotypes [My Copy] Journal of Medicinal Chemistry, Vol. 47, No. 25. (1 December 2004), pp. 6144-6159. by Jeremy L. Jenkins, Meir Glick, John W. Davies posted by 6 people kaliif ucbcjbm jerome sangeetha Bioinformatics insilicodrug
	Enhancing the effectiveness of virtual screening by fusing nearest neighbor lists: a comparison of similarity coefficients. [My Copy] J Chem Inf Comput Sci, Vol. 44, No. 5. (t 2004), pp. 1840-1848. by M. Whittle, V. J. Gillet, P. Willett, A. Alex, J. Loesel posted by 3 people jerome nachtalp JALumley
	Similarity and Clustering in Chemical Information Systems (Chemometrics Series, No 12) [My Copy] (01 April 1987) by Peter Willett posted by 2 people jerome tullachBui
	Molecular Similarity in Drug Design [My Copy] (31 December 1899) by P. M. Dean, P. Dean posted by 2 people jerome tullachBui
	Approaches to Measure Chemical Similarity - a Review [My Copy] QSAR & Combinatorial Science, Vol. 22, No. 9-10. (23 January 2003), pp. 1006-1026. by Nina Nikolova, Joanna Jaworska posted by 7 people ihaque jerome okarsligil tullachBui Bioinformatics fanizzi elvinado
	Chemoinformatics - similarity and diversity in chemical libraries. [My Copy] Curr Opin Biotechnol, Vol. 11, No. 1. (February 2000), pp. 85-88. by P. Willett posted by 1 person jerome
	Similarity-based approaches to virtual screening. [My Copy] Biochem Soc Trans, Vol. 31, No. Pt 3. (June 2003), pp. 603-606. by P. Willett posted by 4 people mijam reyez jerome kuhn
	Molecular similarity: a key technique in molecular informatics. [My Copy] Org Biomol Chem, Vol. 2, No. 22. (21 November 2004), pp. 3204-3218. by A. Bender, R. C. Glen posted by 7 people jerome sangeetha paolo noby Bioinformatics insilicodrug sithmein
	Molecular surface point environments for virtual screening and the elucidation of binding patterns (MOLPRINT 3D). [My Copy] J Med Chem, Vol. 47, No. 26. (16 December 2004), pp. 6569-6583. by A. Bender, H. Y. Mussa, G. S. Gill, R. C. Glen posted by 1 person jerome
	Molecular similarity searching using atom environments, information-based feature selection, and a naïve Bayesian classifier. [My Copy] J Chem Inf Comput Sci, Vol. 44, No. 1. (b 2004), pp. 170-178. by A. Bender, H. Y. Mussa, R. C. Glen, S. Reiling posted by 2 people jerome ucbcjbm
	Enrichment of Extremely Noisy High-Throughput Screening Data Using a Naive Bayes Classifier [My Copy] J Biomol Screen, Vol. 9, No. 1. (1 February 2004), pp. 32-36. by Meir Glick, Anthony E. Klon, Pierre Acklin, John W. Davies posted by 3 people Gorzomagnificent jerome sithmein
	Classification of kinase inhibitors using a Bayesian model. [My Copy] J Med Chem, Vol. 47, No. 18. (26 August 2004), pp. 4463-4470. by X. Xia, E. G. Maliski, P. Gallant, D. Rogers posted by 4 people jerome kuhn LamBras thanatos
	Similarity searching of chemical databases using atom environment descriptors (MOLPRINT 2D): evaluation of performance. [My Copy] J Chem Inf Comput Sci, Vol. 44, No. 5. (t 2004), pp. 1708-1718. by A. Bender, H. Y. Mussa, R. C. Glen, S. Reiling posted by 5 people jerome sangeetha ucbcjbm Bioinformatics insilicodrug
	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
	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
	The maximal affinity of ligands. [My Copy] Proceedings of the National Academy of Sciences of the United States of America, Vol. 96, No. 18. (31 August 1999), pp. 9997-10002. by I. D. Kuntz, K. Chen, K. A. Sharp, P. A. Kollman posted by 7 people higueruelo ubcg08l bicko pslee BragilMassoud alexg superpyrin
	Molecular Dynamics Simulation of Cocaine Binding with Human Butyrylcholinesterase and Its Mutants [My Copy] The Journal of Physical Chemistry B, Vol. 109, No. 10. (1 March 2005), pp. 4776-4782. by Adel Hamza, Hoon Cho, Hsin-Hsiung Tai, Chang-Guo Zhan
	Computational Design of a Human Butyrylcholinesterase Mutant for Accelerating Cocaine Hydrolysis Based on the Transition-State Simulation13 [My Copy] Angewandte Chemie International Edition, Vol. 45, No. 4. (2006), pp. 653-657. by Daquan Gao, Hoon Cho, Wenchao Yang, et al.Yongmei Pan, Guangfu Yang, Hsin-Hsiung Tai, Chang-Guo Zhan
	Catalytic Mechanism and Energy Barriers for Butyrylcholinesterase-Catalyzed Hydrolysis of Cocaine [My Copy] Biophysical Journal, Vol. 89, No. 6. (December 2005), pp. 3863-3872. by C. Zhan
	First-principle studies of intermolecular and intramolecular catalysis of protonated cocaine [My Copy] Journal of Computational Chemistry, Vol. 26, No. 10. (2005), pp. 980-986. by Chang-Guo Zhan, Shi-Xian Deng, Jaime G. Skiba, et al.Beth A. Hayes, Sarah M. Tschampel, George C. Shields, Donald W. Landry
	Free-Energy Perturbation Simulation on Transition States and Redesign of Butyrylcholinesterase [My Copy] Biophysical Journal, Vol. 96, No. 5. (04 March 2009), pp. 1931-1938. by Wenchao Yang, Yongmei Pan, Fang Zheng, Hoon Cho, Hsin-Hsiung Tai, Chang-Guo Zhan
	Molecular docking and ligand specificity in fragment-based inhibitor discovery [My Copy] Nat Chem Biol, Vol. 5, No. 5. (22 May 2009), pp. 358-364. by Yu Chen, Brian K. Shoichet posted by 5 people Faben reyez ubcg08l Fragment Based Drug Discovery pslee
	Two 'Golden Ratio' indices in fragment-based drug discovery. [My Copy] Drug discovery today, Vol. 14, No. 5-6. (10 March 2009), pp. 321-328. by Masaya Orita, Kazuki Ohno, Tatsuya Niimi posted by 3 people ubcg08l Fragment Based Drug Discovery pslee
	Molecular Complexity and Its Impact on the Probability of Finding Leads for Drug Discovery [My Copy] Journal of Chemical Information and Computer Sciences, Vol. 41, No. 3. (1 May 2001), pp. 856-864. by Michael M. Hann, Andrew R. Leach, Gavin Harper posted by 5 people JALumley ubcg08l Fragment Based Drug Discovery pslee middledomain
	Fragment-Based Lead Discovery Using X-ray Crystallography [My Copy] Journal of Medicinal Chemistry, Vol. 48, No. 2. (1 January 2005), pp. 403-413. by Michael J. Hartshorn, Christopher W. Murray, Anne Cleasby, Martyn Frederickson, Ian J. Tickle, Harren Jhoti posted by 4 people ubcg08l Fragment Based Drug Discovery pslee dgruiz
	Modeling Effects of Oxyanion Hole on the Ester Hydrolysis Catalyzed by Human Cholinesterases [My Copy] The Journal of Physical Chemistry B, Vol. 109, No. 48. (1 December 2005), pp. 23070-23076. by Daquan Gao, Chang-Guo Zhan
	Free Energy Perturbation (FEP) Simulation on the Transition States of Cocaine Hydrolysis Catalyzed by Human Butyrylcholinesterase and Its Mutants [My Copy] Journal of the American Chemical Society, Vol. 129, No. 44. (1 November 2007), pp. 13537-13543. by Yongmei Pan, Daquan Gao, Wenchao Yang, Hoon Cho, Chang-Guo Zhan
	Molecular Dynamics of Acetylcholinesterase Dimer Complexed with Tacrine [My Copy] Journal of the American Chemical Society, Vol. 119, No. 40. (1 October 1997), pp. 9513-9522. by Stanislaw T. Wlodek, Terry W. Clark, L. Ridgway Scott, J. Andrew McCammon posted by 1 person fralium
	PEGylation of growth hormone-releasing hormone (GRF) analogues [My Copy] Advanced Drug Delivery Reviews, Vol. 55, No. 10. (26 September 2003), pp. 1279-1291. by P. Esposito posted by 1 person fralium
	Long-acting Growth Hormones Produced by Conjugation with Polyethylene Glycol [My Copy] Journal of Biological Chemistry, Vol. 271, No. 36. (6 September 1996), pp. 21969-21977. by Ross Clark, Kenneth Olson, Germaine Fuh, et al.Melinda Marian, Deborah Mortensen, Glen Teshima, Suh Chang, Herman Chu, Venkat Mukku, Eleanor Canova-Davis, Todd Somers, Michael Cronin, Marjorie Winkler, James A. Wells posted by 1 person fralium
	Rational Design of a Potent, Long-Lasting Form of Interferon: A 40 kDa Branched Polyethylene Glycol-Conjugated Interferon α-2a for the Treatment of Hepatitis C [My Copy] Bioconjugate Chemistry, Vol. 12, No. 2. (1 March 2001), pp. 195-202. by Pascal Bailon, Alicia Palleroni, Carol A. Schaffer, et al.Cheryl L. Spence, Wen-Jian Fung, Jill E. Porter, George K. Ehrlich, Wen Pan, Zhi-Xin Xu, Marlene W. Modi, Adrienne Farid, Wolfgang Berthold, Mary Graves posted by 1 person fralium
	Controlled Concealment of Exposed Clearance and Immunogenic Domains by Site-specific Polyethylene Glycol Attachment to Acetylcholinesterase Hypolysine Mutants [My Copy] Journal of Biological Chemistry, Vol. 282, No. 49. (7 December 2007), pp. 35491-35501. by Ofer Cohen, Chanoch Kronman, Arie Lazar, Baruch Velan, Avigdor Shafferman posted by 1 person fralium
	Site-directed enzymatic PEGylation of the human granulocyte colony-stimulating factor [My Copy] FEBS Journal, Vol. 276, No. 22. (2009), pp. 6741-6750. by Carlo Maullu, Domenico Raimondo, Francesca Caboi, et al.Alejandro Giorgetti, Mauro Sergi, Maria Valentini, Giancarlo Tonon, Anna Tramontano posted by 1 person fralium
	Molecular dynamics simulations of human butyrylcholinesterase [My Copy] Proteins: Structure, Function, and Bioinformatics, Vol. 59, No. 1. (2005), pp. 104-117. by Dimas Suárez, Martin J. Field posted by 1 person fralium