Publications

1. J.M. Ward, N.M. Gorenstein, S.F. Martin and C.B. Post.
   "Constraining binding hot spots: NMR and MD simulations provide a structural explanation for enthalpy-entropy compensation in SH2-ligand binding."
   (2009) for submission
    
2. G.M. Taylor, L. Ma, V.M. Vogt and C.B. Post.
   "Dynamic studies of an RNA-binding segment of the Rous sarcoma virus Gag polyprotein in free and bound states - a model for the initiation of assembly."
   (2009) for submission
    
3. B.R. Brooks, C.L. Brooks 3rd, A.D. Mackerell Jr., L. Nilsson, R.J. Petrella, B. Roux, Y. Won, G. Archontis, C. Bartels, S. Boresch, A. Caflisch, L. Caves, Q. Cui, A.R. Dinner, M. Feig, S. Fischer, J. Gao, M. Hodoscek, W. Im, K. Kuczera, T. Lazaridis, J. Ma, V. Ovchinnikov, E. Paci, R.W. Pastor, C.B. Post, J.Z. Pu, M. Schaefer, B. Tidor, R.M. Venable, H.L. Woodcock, X. Wu, W. Yang, D.M. York and M. Karplus
   "CHARMM: the biomolecular simulation program."
   J Comput Chem. (2009) 30(10):1545-614  Pubmed
    
4. H. Huang, E. Ozkirimli and C.B. Post.
   "Comparison of Three Perturbation Molecular Dynamics Methods for Modeling Conformational Transitions."
   J Chem Theory Comput. (2009) 5(5):1304-14  ACS Publications
    
5. S.A. Kularatne, Z. Zhou, J. Yang, C.B. Post and P.S. Low.
   "Design, synthesis, and preclinical evaluation of prostate-specific membrane antigen targeted (99m)Tc-radioimaging agents."
   Mol Pharm. (2009) 6(3):790-800  Pubmed
    
6. Z. Zhou, C. Patkar, J. Suk, M. Khaliq, L. Li, et al.
   "Antiviral compounds discovered by virtual screening of small-molecule libraries against dengue virus E protein."
   ACS Chem Biol. (2008) 3(12):765-75  Pubmed
    
7. E. Ozkirimli, S.S. Yadav, W.T. Miller and C.B. Post.
   "An electrostatic network is functional in the long-range regulation of Src kinases."
   Protein Science (2008) 17(11):1871-80 (accelerated article, cover illustration)  Pubmed
    
8. Z. Li, M. Khaliq, Z. Zhou, C.B. Post, R.J. Kuhn and M.Cushman
   "Design, Synthesis, and Biological Evaluation of Antiviral Agents Targeting Flavivirus Envelope Proteins."
   J Med Chem (2008) 51(15):4660-71  Pubmed
    
9. Y. Zhang, H. Oh, R.A. Burton, J.W. Burgner, R.L. Geahlen and C.B. Post.
   "Tyr130 phosphorylation triggers Syk release from antigen receptor by long distance conformational uncoupling."
   PNAS (2008) 105(33):11760-5  Pubmed
    
10. V.M. Dadarlat and C.B. Post
    "Contribution of Charged Groups to the Enthalpic Stabilization of the Folded States of Globular Proteins."
    J Phys Chem B (2008) 112(91):6159-6167  Pubmed
     
11. C.B. Post and R.F. Doolittle.
    "Bruno Hasbrouck Zimm (1920-2005)."
    In Biographical Memoirs of the National Academy of Sciences. (2007) National Academy Press, Washington, D. C.
     
12. V.M. Dadarlat and C.B. Post
    "Decomposition of protein experimental compressibility into intrinsic and hydration shell contributions."
    Biophys J (2006) 91(12):4544-4554 Pubmed
     
13. R.A. Burton, S. Mattila, E.J. Taparowsky, and C.B. Post
    "B-myc: N-terminal recognition of myc binding proteins."
    Biochemistry (2006) 45(32):9857-9865 Pubmed
     
14. E. Ozkirimli and C.B. Post
    "Src kinase activation: A switched electrostatic network."
    Protein Sci (2006) 15(5):1051-1062 (cover illustration) Pubmed
     
15. T.D. Groesch, F. Zhou, S. Mattila, R.L. Geahlen, C.B. Post
    "Structural basis for the requirement of two phosphotyrosine residues in signaling mediated by syk tyrosine kinase."
    J Mol Biol (2006) 356(5):1222-1236 Pubmed
     
16. S.C. Jao, S.M. English Ospina, A.J. Berdis, C.B. Post, and J.J. Meiyal
    "Computational and mutational analysis of human glutaredoxin (thioltransferase): probing the molecular basis of the low pKa of cysteine 22 and its role in catalysis."
    Biochemistry (2006) 45(15):4785-4796 Pubmed
     
17. Y. Li, Z. Zhou, C.B. Post
    "From the Cover: Dissociation of an antiviral compound from the internal pocket of human rhinovirus 14 capsid."
    Proc Natl Acad Sci USA (2005) 102(21):7529-7534 Pubmed
     
18. M.L. Beckham, C.B. Post, and M.L. Harrison
    "Title: Structural orientation of the unique and protein binding domains of Lck."
    FASEB J. (2006) 20(5):A903-A904
     
19. T.A. Wilkinson, T.L. Tellinghuisen, R.J. Kuhn, C.B. Post
    "Association of sindbis virus capsid protein with phospholipid membranes and the e2 glycoprotein: implications for alphavirus assembly."
    Biochemistry (2005) 44(8):2800-2810 Pubmed
     
20. K.D. Moon, C.B. Post, D.L. Durden, Q. Zhou, P. De, M.L. Harrison, R.L. Geahlen
    "Molecular basis for a direct interaction between the Syk protein-tyrosine kinase and phosphoinositide 3-kinase."
    J Biol Chem (2005) 280(2):1543-1551 Pubmed
     
21. L. Ma, C.T. Jones, T. D. Groesch, R.J. Kuhn, and C. B. Post.
    "Solution structure of dengue virus capsid protein reveals another fold."
    Proc Natl Acad Sci U S A. (2004) 101(10): 3414-3419 Pubmed
     
22. C. B. Post.
    "Exchange-transferred NOE spectroscopy and bound ligand structure determination."
    Curr. Opin. Struct. Biol. (2003) 13(5): 581-588 Pubmed
     
23. C. T. Jones, L. Ma, J. W. Burgner, T. D. Groesch, C. B. Post, R. J. Kuhn.
    "Flavivirus capsid is a dimeric alpha-helical protein."
    J. Virology (2003) 77(12): 7143-7149 Pubmed
     
24. V. M. Dadarlat and C. B. Post.
    "Adhesive-cohesive model for protein compressibility: an alternative perspective on stability."
    Proc. Natl. Acad. Sci., U.S.A. (2003) 100(25): 14778-14783 Pubmed
     
25. A. P. Zabell and C. B. Post.
    "Intermolecular relaxation has little effect on intra-peptide exchange-transferred NOE intensities."
    J. Biomolecular NMR (2002) 22(4): 303-315 Pubmed
     
26. A. Zabell and C. B. Post.
    "Docking multiple conformations of a flexible ligand into a protein binding site using NMR restraints."
    Proteins (2002) 46(3): 295-307 Pubmed
     
27. B. Speelman, B. R. Brooks, C. B. Post.
    "Molecular dynamics simulations of human rhinovirus and an anitviral compound."
    Biophys. J. (2001) 80(1): 121-129 Pubmed
     
28. V. M. Dadarlat and C. B. Post.
    "Insights into protein compressibility from molecular dynamics simulations."
    J Phys Chem B (2001) 105:715-724.
     
29. T. A. Wilkinson, J. Yin, C. Pidgeon, C. B. Post.
    "Alkylation of Cysteine-Containing Peptides to Mimic Palmitoylation."
    J. Pept. Res. (2000) 55: 140-147. Pubmed
     
30. D. K. Phelps, B. Speelman and C. B. Post.
    "Theoretical Studies of Viral Proteins."
    Curr. Opin. Struct. Biol. (2000) 10: 170-173. Pubmed
     
31. R. L. Kingston, R. Fitzon-Ostendorp, E. Z. Eisenmesser, G. W. Schatz, V. M. Vogt, C. B. Post and M. G. Rossmann.
    "Structure and Self-association of the Rous Sarcoma Virus Capsid Protein."
    Structure. (2000) 8(6): 617-628 Pubmed
     
32. B. S. Gaul, M., R. L. Geahlen, L. Harrison, R. A. Burton, and C. B. Post.
    "Substrate Recognition by the Lyn Protein-Tyrosine Kinase: NMR Structure of the ITAM Signaling Region of the B-cell Antigen Receptor."
    J. Biol. Chem. (2000) 275(21): 16174-16182 Pubmed
     
33. E. Eisenmesser, A. Zabell and C. B. Post.
    "Accuracy of Bound-state Structure Determination by Exchange-Transferred NOE for Peptide-Protein Complexes."
    J. Biomol. NMR. (2000) 17(1): 17-32. Pubmed
     
34. C. B. Post and V. Dadarlat.
    "Molecular Dynamics Simulations of Biological Macromolecules."
    International Tables for Macromolecular Crystallography. Vol F. (2000) M. B. Rossman and E. Arnold, eds. Kluwer Academic Publishers, London. Abstract
     
35. C. B. Post, B. S. Gaul, E. Z. Eisenmesser and M. L. Schneider.
    "NMR Structure of Phospho-tyrosine Signaling Complexes."
    Med. Res. Rev. (1999) 19: 295-305. Pubmed
     
36. R. Pomes, E. Z. Eisenmesser, C. B. Post and B. Roux.
    "Calculating Excess Chemical Potentials Using Dynamic Simulations in the Fourth Dimension."
    J. Chem. Phys. 111 (1999): 3387-3395 Abstract
     
37. D. Phelps and C. B. Post.
    "Molecular Dynamics Investigation of the Effect of an Antiviral Compound on Human Rhinovirus."
    Prot. Sci. (1999) 8: 2281-2289. Pubmed
     
38. V. S. Reddy, H. A. Giesing, R. T. Morton, A. Kumar, C. B. Post, C. L. Brooks III and J. E. Johnson.
    "Energetics of Quasi-equivalence: Computational Analysis of Protein-Protein Interactions in Icosahedral Viruses."
    Biophys. J. (1998) 74: 546-558. Pubmed
     
39. D. L. Phelps, P. J. Rossky, and C. B. Post.
    "Influence of an Antiviral Compound on the Temperature Dependence of Viral Protein Flexibility and Packing: a Molecular Dynamics Study."
    J. Mol. Biol. (1998) 276: 331-337. Pubmed
     
40. E. Z. Eisenmesser and C. B. Post
    "Insights into Tyrosine Phosphorylation Control of Protein-Protein Association from the NMR Structure of a Band 3 Peptide Inhibitor Bound to Glyceraldehyde-3-phosphate Dehydrogenase."
    Biochemistry. (1998) 37: 867-877. Pubmed
     
41. S.J.F. Vincent, C. Zwahlen, C.B. Post, J.W. Burgner, II and G. Bodenhausen.
    "The Conformation of NAD+ bound to Lactate Dehydrogenase Determined by Nuclear Magnetic Resonance with Suppression of Spin Diffusion."
    Proc. Natl. Acad. Sci., U.S.A. (1997) 94: 4383-4388. Pubmed
     
42. J. Zheng and C.B. Post
    "Variation in protein indirect relaxation effects in one- and two-dimensional exchange-transferred Overhauser experiments."
    J Phys Chem (1996) 100:2675-80.
     
43. Z.Q. Zhang, C.B. Post and D.L. Smith.
    "Amide hydrogen exchange determined by mass spectrometry: application to rabbit muscle aldolase."
    Biochemistry (1996) 35(3): 779-791. Pubmed
     
44. L. Young and C.B. Post.
    "Catalysis by entropic guidance from enzymes."
    Biochemistry (1996) 35(48): 15129 - 15133. Pubmed
     
45. M. Karplus and C.B. Post.
    "Simulations of lysozyme: internal motions and the reaction mechanism."
    EXS (1996) 75:111-141. Pubmed
     
46. C.L. Brooks III, C.B. Post and P. Rossky.
    "Biography of Martin Karplus."
    J Phys Chem (1996) 100:2458.
     
47. M.L. Schneider and C.B. Post.
    "Solution structure of a band 3 peptide inhibitor bound to aldolase: a proposed mechanism for regulating binding by tyrosine phosphorylation."
    Biochemistry (1995) 34(51):16574-16584. Pubmed
     
48. C.B. Post and W.J. Ray Jr.
    "Reexamination of induced fit as a determinant of substrate specificity in enzymatic reactions."
    Biochemistry (1995) 34(49):15881-15885. Pubmed
     
49. D.K. Phelps and C.B. Post.
    "A novel basis of capsid stabilization by antiviral compounds."
    J Mol Biol (1995) 254(4):544-551. Pubmed
     
50. C.B. Post. "Characterization of enzyme-complex formation by analysis of nuclear magnetic resonance line shapes."
    Methods Enzymol. (1994) 240:438-446.
     
51. C.B. Post. "Characterization of enzyme-complex formation by analysis of nuclear magnetic resonance line shapes."
    Methods Enzymol. (1994) 240:438-446.
     
52. C.B. Post, L. Young and J. Zheng.
    "Conformational Equilibrium of Dihydronicotinamide in Ldh-Nadh."
    Pure and Applied Chemistry (1994) 66:83-88.
     
53. J. Zheng and C.B. Post.
    "Protein Indirect Relaxation Effects in Exchange-Transferred Noesy by a Rate-Matrix Analysis."
    J Magn Reson B(1993) 101:262-270.
     
54. L. Young and C.B. Post.
    "Free-Energy Calculations Involving Internal Coordinate Constraints to Determine Puckering of a 6-Membered Ring Molecule."
    J Am Chem Soc. (1993) 115:1964-70.
     
55. W.J. Ray Jr., C.B. Post and J.M. Puvathingal.
    "Reaction of the isosteric methylenephosphonate analog of alpha-D-glucose 1-phosphate with phosphoglucomutase. Induced-fit specificity revisited."
    Biochemistry (1993) 32(1):38-47. Pubmed
     
56. W.J. Ray Jr., C.B. Post, Y. Liu, G.I. Rhyu.
    "Structural changes at the metal ion binding site during the phosphoglucomutase reaction."
    Biochemistry (1993) 32(1): 48-57. Pubmed
     
57. C.B. Post.
    "Internal motional averaging and three-dimensional structure determination by nuclear magnetic resonance."
    J Mol Biol (1992) 224(4):1087-1101. Pubmed
     
58. R.P. Meadows, K. Kaluarachchi, C.B. Post and D.G. Gorenstein.
    "Just how accurate are structures determined from 2D NOESY spectra? The MORASS of an answer."
    Bull Magn Reson. (1991) 13:22-48.
     
59. W.J. Ray Jr. and C.B. Post.
    "The oxyvanadium constellation in transition-state-analogue complexes of phosphoglucomutase and ribonuclease. Structural deductions from electron-transfer spectra."
    Biochemistry (1990) 29(11):2779-2789. Pubmed
     
60. W.J. Ray Jr., J.W. Burgner II and C.B. Post.
    "Characterization of vanadate-based transition-state-analogue complexes of phosphoglucomutase by spectral and NMR techniques."
    Biochemistry (1990) 29(11):2770-2778. Pubmed
     
61. C.B. Post, R.P. Meadows and D.G. Gorenstein.
    "On the Evaluation of Interproton Distances for 3-Dimensional Structure Determination by Nmr Using a Relaxation Rate Matrix Analysis."
    J Am Chem Soc. (1990) 112:6796-6803. Pubmed
     
62. C.B. Post, C.M. Dobson and M. Karplus.
    "Lysozyme Hydrolysis of Beta-Glycosides - a Consensus between Binding Interactions and Mechanism."
    ACS Symposium Series 430:377-388.
     
63. D.G. Gorenstein, R.P. Meadows, J.T. Metz, E. Nikonowiczand C.B. Post
    "Phosphorus-31 and proton two-dimensional NMR and NOESY-distance restrained molecular dynamics methodologies for defining sequence-specific variations in duplex oligonucleotides: a comparison of NOESY two-spin approximation and the relaxation matrix analyses."
    Adv Biophys Chem. 1:47-124.
     
64. W.J. Ray Jr., C.B. Post and J.M. Puvathingal.
    "Comparison of rate constants for (PO3-) transfer by the Mg(II), Cd(II), and Li(I) forms of phosphoglucomutase."
    Biochemistry (1989) 28(2):559-569. Pubmed
     
65. C.B. Post, W.J. Ray Jr. and D.G. Gorenstein.
    "Time-dependent 31P saturation transfer in the phosphoglucomutase reaction. Characterization of the spin system for the Cd(II) enzyme and evaluation of rate constants for the transfer process."
    Biochemistry (1989) 28(2):548-558. Pubmed
     
66. C.B. Post, C.M. Dobson and M. Karplus.
    "A molecular dynamics analysis of protein structural elements."
    Proteins (1989) 5(4):337-354. Pubmed
     
67. C.B. Post, M. Karplus, and C. Dobson.
    "A lysozyme molecular dynamics simulation."
    Ann. N. Y. Acad. Sci. (1986) 482:267-8.
     
68. C.B. Post and M. Karplus.
    "Does Lysozyme Follow the Lysozyme Pathway - An Alternative Based on Dynamic, Structural, and Stereoelectronic Considerations."
    J Am Chem Soc (1986) 108(6):1317-1319.
     
69. C.B. Post CB, B.R. Brooks, M. Karplus, C.M. Dobson, P.J. Artymiuk, J.C. Cheetham and D.C. Phillips.
    "Molecular dynamics simulations of native and substrate-bound lysozyme. A study of the average structures and atomic fluctuations."
    J Mol Biol (1986) 190(3):455-479. Pubmed
     
70. C.B. Post.
    "A Monte-Carlo estimate of DNA loop formation."
    Biopolymers (1984) 23(3):601-605.
     
71. C.B. Post.
    "Excluded volume of an intermediate-molecular-weight DNA. A Monte Carlo analysis."
    Biopolymers (1983) 22(4):1087-1096.
     
72. C.B. Post and B.H. Zimm.
    "Light-scattering study of DNA condensation: competition between collapse and aggregation."
    Biopolymers (1982) 21(11):2139-2160.
     
73. C.B. Post and B.H. Zimm.
    "Theory of DNA condensation: collapse versus aggregation."
    Biopolymers (1982) 21(11): 2123-2137.
     
74. C.B. Post and B.H. Zimm.
    "DNA Condensation and How It Relates to Phase-Equilibrium in Solution."
    Biohys J. (1980) 32:448-450
     
75. C.B. Post and B.H. Zimm.
    "Internal Condensation of a Single DNA Molecule."
    Biopolymers (1979) 18:1487-1501
     
76. F.E. Wood, C.B. Post, and M.A. Cusanovich.
    "Reduction kinetics of bacterial cytochromes c2."
    Arch Biochem Biophys (1977) 184(2):586-595.