GermanErlenkamp's library 90 articles Export

	Predicting Multiple Ligand Binding Modes Using Self-Consistent Pharmacophore Hypotheses [My Copy] Journal of Chemical Information and Modeling, Vol. 49, No. 9. (28 September 2009), pp. 2116-2128. by Izhar Wallach, Ryan Lilien posted to pharmacophore kinase by GermanErlenkamp on 2009-10-07 13:43:16 as
	Strategies toward the Design of Novel and Selective Protein Tyrosine Kinase Inhibitors [My Copy] Pharmacology & Therapeutics, Vol. 82, No. 2-3. (June 1999), pp. 195-206. by P. Traxler posted to tyrosine receptor protein platelet-derived pharmacophore model kinase inhibitors growth factor epidermal competitive atp by GermanErlenkamp on 2009-10-07 13:29:56 as
	Kinase Inhibitor Data Modeling and de Novo Inhibitor Design with Fragment Approaches [My Copy] Journal of Medicinal Chemistry, Vol. 52, No. 20. (22 October 2009), pp. 6456-6466. by Michal Vieth, Jon Erickson, Jibo Wang, et al.Yue Webster, Mary Mader, Richard Higgs, Ian Watson posted to no-tag by GermanErlenkamp on 2009-10-06 13:32:54 as
	Computational modeling of protein mutant stability: analysis and optimization of statistical potentials and structural features reveal insights into prediction model development. [My Copy] BMC structural biology, Vol. 7 (16 August 2007), 54. by Vijaya Parthiban, Michael M. Gromiha, Madenhalli Abhinandan, Dietmar Schomburg posted to no-tag by GermanErlenkamp on 2009-09-17 09:03:48 as
	CUPSAT: prediction of protein stability upon point mutations. [My Copy] Nucleic acids research, Vol. 34, No. Web Server issue. (1 July 2006) by Vijaya Parthiban, Michael M. Gromiha, Dietmar Schomburg posted to no-tag by GermanErlenkamp on 2009-09-17 08:59:57 as along with 1 person happy_manatee
	The Stability Effects of Protein Mutations Appear to be Universally Distributed [My Copy] Journal of Molecular Biology, Vol. 369, No. 5. (22 June 2007), pp. 1318-1332. by Nobuhiko Tokuriki, Francois Stricher, Joost Schymkowitz, Luis Serrano, Dan S. Tawfik posted to biophysics computational distributions g models mutational protein robustness stability by GermanErlenkamp on 2009-07-28 09:54:22 as
	How Protein Stability and New Functions Trade Off [My Copy] PLoS Comput Biol, Vol. 4, No. 2. (29 February 2008), e1000002. by Nobuhiko Tokuriki, Francois Stricher, Luis Serrano, Dan S. Tawfik posted to no-tag by GermanErlenkamp on 2009-07-28 09:50:30 as along with 4 people pablocarb pinney orr aalibes
	The FoldX web server: an online force field. [My Copy] Nucleic acids research, Vol. 33, No. Web Server issue. (1 July 2005) by J. Schymkowitz, J. Borg, F. Stricher, R. Nys, F. Rousseau, L. Serrano posted to no-tag by GermanErlenkamp on 2009-07-21 10:30:08 as along with 3 people aalibes chad_davis neils
	Computational Modeling of Structurally Conserved Cancer Mutations in the RET and MET Kinases: The Impact on Protein Structure, Dynamics, and Stability [My Copy] Biophysical Journal, Vol. 96, No. 3. (04 February 2009), pp. 858-874. by Anshuman Dixit, Ali Torkamani, Nicholas J. Schork, Gennady Verkhivker posted to no-tag by GermanErlenkamp on 2009-07-15 09:47:07 as along with 1 person barry
	Benchmarking Sets for Molecular Docking [My Copy] Journal of Medicinal Chemistry, Vol. 49, No. 23. (1 November 2006), pp. 6789-6801. by Niu Huang, Brian K. Shoichet, John J. Irwin posted to no-tag by GermanErlenkamp on 2009-07-06 08:22:00 as along with 4 people and 1 group ihaque BragilMassoud yongzhao daevans TSRI_MGL
	Random mutagenesis of a recombinant microbial transglutaminase for the generation of thermostable and heat-sensitive variants [My Copy] Journal of Biotechnology, Vol. 136, No. 3-4. (10 September 2008), pp. 156-162. by C. Marx, T. Hertel, M. Pietzsch posted to mutation recombinant thermostable transglutaminase by GermanErlenkamp on 2009-06-19 14:24:21 as
	The extended protein kinase C superfamily. [My Copy] The Biochemical journal, Vol. 332 ( Pt 2) (1 June 1998), pp. 281-292. by H. Mellor, P. J. Parker posted to pkc by GermanErlenkamp on 2009-06-08 16:25:16 as
	Structure of the C2 domain from novel protein kinase Cϵ. A membrane binding model for Ca2+-independent C2 domains1 [My Copy] Journal of Molecular Biology, Vol. 311, No. 4. (24 August 2001), pp. 837-849. by Wendy F. Ochoa, Josefa Garcia-Garcia, Ignacio Fita, Senena Corbalan-Garcia, Nuria Verdaguer, Juan C. Gomez-Fernandez posted to acid c c2 domain kinase novel phosphatidic phosphatidylserine protein structure x-ray by GermanErlenkamp on 2009-06-08 16:19:00 as
	Expression, purification and characterization of the ubiquitous protein kinase C-related kinase 1. [My Copy] The Biochemical journal, Vol. 309 ( Pt 1) (1 July 1995), pp. 315-320. by R. H. Palmer, P. J. Parker posted to c-related characterization kinase prk1 by GermanErlenkamp on 2009-06-08 14:45:44 as
	Efficient evaluation of binding free energy using continuum electrostatics solvation. [My Copy] J Med Chem, Vol. 47, No. 23. (4 November 2004), pp. 5791-5797. by D. Huang, A. Caflisch posted to binding continuum electrostatics energy free solvation by GermanErlenkamp on 2009-05-28 14:03:32 as along with 1 person and 1 group ssomani structure-bii
	Crystal structure of the Cys2 activator-binding domain of protein kinase C? in complex with phorbol ester [My Copy] Cell, Vol. 81, No. 6. (June 1995), pp. 917-924. by G. Zhang posted to alpha crystal domain pkc structure by GermanErlenkamp on 2009-05-14 09:48:15 as
	Design, Synthesis, and Biological Activity of Isophthalic Acid Derivatives Targeted to the C1 Domain of Protein Kinase C [My Copy] Journal of Medicinal Chemistry, Vol. 0, No. 0. (0000) by Af, Virpi Talman, Olli Aitio, et al.Elina Ekokoski, Moshe Finel, Raimo K. Tuominen, Jari Yli-Kauhaluoma posted to acid c1 design docking domain isophthalic pkc by GermanErlenkamp on 2009-05-14 09:27:36 as
	Ranking ligand binding affinities with avidin: a molecular dynamics-based interaction energy study [My Copy] Proteins: Structure, Function, and Genetics, Vol. 34, No. 1. (1999), pp. 69-81. by Jian Wang, Richard Dixon, Peter A. Kollman posted to biotin calculations docking dynamics energy free molecular by GermanErlenkamp on 2009-05-12 13:43:47 as
	Molecular dynamics and free energy analysis of neuraminidase-ligand interactions. [My Copy] Protein science : a publication of the Protein Society, Vol. 13, No. 4. (April 2004), pp. 946-957. by P. Bonnet, R. A. Bryce posted to analysis binding computational continuum dynamics energy free influenza inhibitors methodology models molecular neuraminidase perturbation solvent by GermanErlenkamp on 2009-05-12 13:36:48 as along with 1 person dfgreen
	A Linear Scaling Study of Solvent−Solute Interaction Energy of Drug Molecules in Aqua Solution [My Copy] The Journal of Physical Chemistry B, Vol. 111, No. 34. (1 August 2007), pp. 10320-10328. by Laban Bondesson, Elias Rudberg, Yi Luo, Pawel Salek posted to drug interaction linear scaling solute solvent by GermanErlenkamp on 2009-05-12 13:22:52 as
	A new method for predicting binding affinity in computer-aided drug design [My Copy] Protein Eng., Vol. 7, No. 3. (1 March 1994), pp. 385-391. by Johan Aqvist, Carmen Medina, Jan-Erik Samuelsson posted to affinity binding design drug lie by GermanErlenkamp on 2009-05-12 12:31:05 as
	The Structural Basis for Autoinhibition of FLT3 by the Juxtamembrane Domain [My Copy] Molecular Cell, Vol. 13, No. 2. (30 January 2004), pp. 169-178. by James Griffith, James Black, Carlos Faerman, et al.Lora Swenson, Michael Wynn, Fan Lu, Judith Lippke, Kumkum Saxena posted to no-tag by GermanErlenkamp on 2009-04-21 13:48:46 as
	Ligand binding affinity prediction by linear interaction energy methods [My Copy] Journal of Computer-Aided Molecular Design, Vol. 12, No. 1. (1 January 1998), pp. 27-35. by Tomas Hansson, John Marelius, Johan Åqvist posted to binding design dynamics energy ligand linear molecular response simulations structure-based by GermanErlenkamp on 2009-03-31 09:16:38 as along with 1 person neils
	Calculation of protein-ligand binding affinities. [My Copy] Annual review of biophysics and biomolecular structure, Vol. 36 (2007), pp. 21-42. by Michael K. Gilson, Huan-Xiang X. Zhou posted to computation design drug energy entropy free modeling by GermanErlenkamp on 2009-03-31 09:03:13 as along with 15 people and 3 groups mijogiffin flbarroso onufriev arlam oteri jmccammon bmduggan dimka neils hmk ashaytan ras cchang boris_aguilar qaiser_fatmi Chang group Structural Biology Group TorVergata McCammon
	Discovery of Kinase Inhibitors by High-Throughput Docking and Scoring Based on a Transferable Linear Interaction Energy Model [My Copy] Journal of Medicinal Chemistry, Vol. 51, No. 5. (1 March 2008), pp. 1179-1188. by Peter Kolb, Danzhi Huang, Fabian Dey, Amedeo Caflisch posted to docking inhibitors kinase lie by GermanErlenkamp on 2009-03-31 08:56:54 as
	Is Quantum Mechanics Necessary for Predicting Binding Free Energy? [My Copy] Journal of Medicinal Chemistry, Vol. 51, No. 14. (1 July 2008), pp. 4280-4288. by Ting Zhou, Danzhi Huang, Amedeo Caflisch posted to binding energy free lie mechanics quantum by GermanErlenkamp on 2009-03-31 08:52:39 as
	Semianalytical treatment of solvation for molecular mechanics and dynamics [My Copy] Journal of the American Chemical Society, Vol. 112, No. 16. (1 August 1990), pp. 6127-6129. by W. Clark Still, Anna Tempczyk, Ronald C. Hawley, Thomas Hendrickson posted to born dynamics generalized mechanics molecular by GermanErlenkamp on 2009-03-26 13:15:53 as along with 6 people chemrahul82 blackgen Lombardo_7 dmitry_s_yershov stephenbond dfgreen
	The GB/SA Continuum Model for Solvation. A Fast Analytical Method for the Calculation of Approximate Born Radii [My Copy] The Journal of Physical Chemistry A, Vol. 101, No. 16. (1 April 1997), pp. 3005-3014. by Di Qiu, Peter S. Shenkin, Frank P. Hollinger, W. Clark Still posted to born generalized method model by GermanErlenkamp on 2009-03-26 13:06:34 as along with 4 people chemrahul82 mijam dfgreen jwagoner
	Simulations of the Estrogen Receptor Ligand-Binding Domain: Affinity of Natural Ligands and Xenoestrogens [My Copy] J. Med. Chem., Vol. 43, No. 24. (30 November 2000), pp. 4594-4605. by B. C. Oostenbrink, J. W. Pitera, M. M. H. van Lipzig, J. H. N. Meerman, W. F. van Gunsteren posted to binding energy estrogen free ligand pertubation receptor simulation by GermanErlenkamp on 2009-03-25 13:48:41 as along with 1 person dmobley
	A Molecular Basis for the Selectivity of Thiadiazole Urea Inhibitors with Stromelysin-1 and Gelatinase-A from Generalized Born Molecular Dynamics Simulations [My Copy] Journal of Medicinal Chemistry, Vol. 47, No. 12. (1 June 2004), pp. 3065-3074. by Robert C. Rizzo, Samuel Toba, Irwin D. Kuntz posted to amber mmgbsa by GermanErlenkamp on 2009-03-25 10:36:10 as
	Novel Indolylindazolylmaleimides as Inhibitors of Protein Kinase C-β: Synthesis, Biological Activity, and Cardiovascular Safety† [My Copy] Journal of Medicinal Chemistry, Vol. 48, No. 6. (1 March 2005), pp. 1725-1728. by Han-Cheng Zhang, Claudia K. Derian, David F. Mccomsey, et al.Kimberly B. White, Hong Ye, Leonard R. Hecker, Jian Li, Michael F. Addo, Diane Croll, Annette J. Eckardt, Charles E. Smith, Quan Li, Wai-Man Cheung, Bruce R. Conway, Stuart Emanuel, Keith T. Demarest, Patricia Andrade-Gordon, Bruce P. Damiano, Bruce E. Maryanoff posted to indolylindazolylmaleimides inhibitors pkc by GermanErlenkamp on 2009-03-23 08:38:29 as
	Structure of the Catalytic Domain of Human Protein Kinase C β II Complexed with a Bisindolylmaleimide Inhibitor‡ [My Copy] Biochemistry, Vol. 45, No. 47. (1 November 2006), pp. 13970-13981. by Neil Grodsky, Ying Li, Djamal Bouzida, et al.Robert Love, Jordan Jensen, Beverly Nodes, Jim Nonomiya, Stephan Grant posted to bims catalytic domain kinase pkc structure by GermanErlenkamp on 2009-03-23 08:30:33 as
	An AMBER/DYANA/MOLMOL Phosphorylated Amino Acid Library Set and Incorporation into NMR Structure Calculations [My Copy] Journal of Biomolecular NMR, Vol. 33, No. 1. (September 2005), pp. 15-24. by John Craft, Glen Legge posted to amber phosphorylation phosphoserine phosphothreonine phosphotyrosine by GermanErlenkamp on 2009-03-17 07:49:36 as along with 1 person Lombardo_7
	AMBER force-field parameters for phosphorylated amino acids in different protonation states: phosphoserine, phosphothreonine, phosphotyrosine, and phosphohistidine [My Copy] Journal of Molecular Modeling, Vol. 12, No. 3. (1 February 2006), pp. 281-289. by Nadine Homeyer, Anselm Horn, Harald Lanig, Heinrich Sticht posted to acids amber amino electrostatic field parameters phosphorylated potential restrained rorce by GermanErlenkamp on 2009-03-16 14:05:16 as along with 2 people pmung pavanghatty
	Rational design of inhibitors that bind to inactive kinase conformations. [My Copy] Nat Chem Biol, Vol. 2, No. 7. (July 2006), pp. 358-364. by Y. Liu, N. S. Gray posted to design drug inhibitors kinase qsar by GermanErlenkamp on 2009-03-16 10:07:32 as along with 2 people kentsis tjimenez
	Protein-ligand binding free energy estimation using molecular mechanics and continuum electrostatics. Application to HIV-1 protease inhibitors [My Copy] Journal of Computer-Aided Molecular Design, Vol. 17, No. 12. (21 December 2003), pp. 861-880. by V. Zoete, O. Michielin, M. Karplus posted to binding continuum design drug electrostatics energy estimation free hiv-1 lie ligand method protease by GermanErlenkamp on 2009-02-12 13:55:22 as
	Binding affinity prediction with different force fields: examination of the linear interaction energy method. [My Copy] J Comput Chem, Vol. 25, No. 10. (30 July 2004), pp. 1242-1254. by M. Almlöf, B. O. Brandsdal, J. Aqvist posted to binding dynamics energies energy free interaction linear method molecular response by GermanErlenkamp on 2009-02-12 13:48:19 as along with 2 people baaden superpyrin
	Predicting proteinase specificities from free energy calculations [My Copy] Journal of Molecular Graphics and Modelling, Vol. 25, No. 2. (October 2006), pp. 176-185. by S. Mekonnen, M. Olufsen, A. Smalas, B. Brandsdal posted to calculations dynamics energy free molecular protein proteinases serine simulations specificity by GermanErlenkamp on 2009-02-12 13:45:25 as
	Ligand-receptor interactions [My Copy] Computers & Chemistry, Vol. 8, No. 4. (1984), pp. 281-283. by B. Tembre posted to computing energy interaction by GermanErlenkamp on 2009-02-03 14:05:39 as
	Efficient computation of absolute free energies of binding by computer simulations. Application to the methane dimer in water [My Copy] The Journal of Chemical Physics, Vol. 89, No. 6. (1988), pp. 3742-3746. by William L. Jorgensen, Kathleen J. Buckner, Stephane Boudon, Julian T. Rives posted to annihilation carl double energies free monte by GermanErlenkamp on 2009-02-03 13:48:17 as
	Are Automated Molecular Dynamics Simulations and Binding Free Energy Calculations Realistic Tools in Lead Optimization? An Evaluation of the Linear Interaction Energy (LIE) Method - Journal of Chemical Information and Modeling (ACS Publications) [My Copy] Journal of Chemical Information and Modelling, Vol. 46, No. 5. (2006), pp. 1972-1983. by Va Stjernschantz, John Marelius, Carmen Medina, Micael Jacobsson, Nico P. E. Vermeulen, Chris Oostenbrink posted to binding energy free interaction linear by GermanErlenkamp on 2008-11-20 08:43:30 as
	Predicting Binding Modes from Free Energy Calculations - Journal of Medicinal Chemistry (ACS Publications) [My Copy] Journal of Medicinal Chemistry, Vol. 51, No. 9. (2008), pp. 2657-2667. by Martin Nervall, Peter Hanspers, Jens Carlsson, Lars Boukharta, Johan Åqvist* posted to binding energy interaction linear modes by GermanErlenkamp on 2008-11-20 08:39:45 as
	Ligand Binding Affinities from MD Simulations - Accounts of Chemical Research (ACS Publications) [My Copy] Accounts in chemical research, Vol. 35, No. 6. (2002), pp. 358-365. by Johan Åqvist, Victor B. Luzhkov, Bjørn O. Brandsdal posted to binding energy free interaction ligand linear by GermanErlenkamp on 2008-11-20 08:30:38 as
	SCOP: A structural classification of proteins database for the investigation of sequences and structures [My Copy] Journal of Molecular Biology, Vol. 247, No. 4. (7 April 1995), pp. 536-540. by Alexey G. Murzin, Steven E. Brenner, Tim Hubbard, Cyrus Chothia posted to 1995 database scop by GermanErlenkamp on 2008-11-13 16:36:07 as along with 1 person jlh64
	SCOP database in 2002: refinements accommodate structural genomics. [My Copy] Nucleic acids research, Vol. 30, No. 1. (1 January 2002), pp. 264-267. by L. Lo Conte, S. E. Brenner, T. J. Hubbard, C. Chothia, A. G. Murzin posted to 2002 database scop by GermanErlenkamp on 2008-11-13 16:30:16 as along with 4 people timhubbard tjimenez dimka cjeans
	Structural aspects of the functional modules in human protein kinase-Calpha deduced from comparative analyses [My Copy] Proteins: Structure, Function, and Genetics, Vol. 26, No. 2. (1996), pp. 217-235. by N. Srinivasan, Ben Bax, Tom L. Blundell, Peter J. Parker posted to catalytic comparative cysteine-rich domain modeling phosphorylation pseudo-substrate region specificity synaptotagmin by GermanErlenkamp on 2008-10-17 15:06:15 as
	Additional Binding Sites for Anionic Phospholipids and Calcium Ions in the Crystal Structures of Complexes of the C2 Domain of Protein Kinase Cα [My Copy] Journal of Molecular Biology, Vol. 320, No. 2. (05 July 2002), pp. 277-291. by W. Ochoa, S. Corbalangarcia, R. Eritja, et al.J. Rodriguezalfaro, J. Gomezfernandez, I. Fita, N. Verdaguer posted to acid c c2 domain kinase phosphatidic phosphatidylserine protein structures x-ray by GermanErlenkamp on 2008-10-17 12:32:28 as
	Retinoic Acid Binds to the C2-Domain of Protein Kinase Cα [My Copy] Biochemistry, Vol. 42, No. 29. (29 July 2003), pp. 8774-8779. by W. F. Ochoa, A. Torrecillas, I. Fita, N. Verdaguer, S. Corbalan-Garcia, J. C. Gomez-Fernandez posted to alpha c kinase protein retinoic by GermanErlenkamp on 2008-10-17 12:31:55 as
	Potent selective inhibitors of protein kinase C [My Copy] FEBS Letters, Vol. 259, No. 1. (18 December 1989), pp. 61-63. by P. Davis posted to 2 c cell inhibition interleukin kinase platelet protein selective t by GermanErlenkamp on 2008-10-17 10:08:33 as
	Further development and validation of empirical scoring functions for structure-based binding affinity prediction [My Copy] Journal of Computer-Aided Molecular Design, Vol. 16, No. 1. (1 January 2002), pp. 11-26. by Renxiao Wang, Luhua Lai, Shaomeng Wang posted to affinity binding function prediction scoring xscore by GermanErlenkamp on 2008-10-13 09:23:50 as along with 1 person nickolay

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kinase	20
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xscore	1

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