-
1
-
-
0029623184
-
Computational methods to predict binding free energy in ligand-receptor complexes
-
Ajay and M. A. Murcko. 1995. Computational methods to predict binding free energy in ligand-receptor complexes. J. Med. Chem. 38:4953-4967.
-
(1995)
J. Med. Chem.
, vol.38
, pp. 4953-4967
-
-
Ajay1
Murcko, M.A.2
-
3
-
-
0030134110
-
On the validity of electrostatic linear response in polar solvents
-
Aqvist, J., and T. Hansson. 1996. On the validity of electrostatic linear response in polar solvents. J. Phys. Chem. 100:9512-9521.
-
(1996)
J. Phys. Chem.
, vol.100
, pp. 9512-9521
-
-
Aqvist, J.1
Hansson, T.2
-
4
-
-
0028155689
-
A new method for predicting binding affinity in computer-aided drug design
-
Aqvist, J., C. Medina, and J.-E. Samuelsson. 1994. A new method for predicting binding affinity in computer-aided drug design. Protein Eng. 7:385-391.
-
(1994)
Protein Eng.
, vol.7
, pp. 385-391
-
-
Aqvist, J.1
Medina, C.2
Samuelsson, J.-E.3
-
5
-
-
0028260307
-
Lipid-binding proteins: A family of fatty acid and retinoid transport proteins
-
Banaszak, L., N. Winter, Z. Xu, D. A. Bernlohr, S. Cowan, and T. A. Jones. 1994. Lipid-binding proteins: a family of fatty acid and retinoid transport proteins. Adv. Protein Chem. 45:89-151.
-
(1994)
Adv. Protein Chem.
, vol.45
, pp. 89-151
-
-
Banaszak, L.1
Winter, N.2
Xu, Z.3
Bernlohr, D.A.4
Cowan, S.5
Jones, T.A.6
-
6
-
-
0001655657
-
Finite representation of an infinite bulk system: Solvent boundary potential for computer simulations
-
Beglov, D., and B. Roux. 1994. Finite representation of an infinite bulk system: solvent boundary potential for computer simulations. J. Chem. Phys. 100:9050
-
(1994)
J. Chem. Phys.
, vol.100
, pp. 9050
-
-
Beglov, D.1
Roux, B.2
-
7
-
-
36749119973
-
Deformable stochastic boundaries in molecular dynamics
-
Brooks, C. L., III, and M. Karplus. 1983. Deformable stochastic boundaries in molecular dynamics. J. Chem. Phys. 79:6312-6325.
-
(1983)
J. Chem. Phys.
, vol.79
, pp. 6312-6325
-
-
Brooks III, C.L.1
Karplus, M.2
-
8
-
-
0003525155
-
-
John Wiley and Sons, New York
-
Brooks, C. L., III, M. Karplus, and B. M. Pettitt, 1988. Proteins: A Theoretical Perspective of Dynamics, Structure, and Thermodynamics. John Wiley and Sons, New York.
-
(1988)
Proteins: A Theoretical Perspective of Dynamics, Structure, and Thermodynamics
-
-
Brooks III, C.L.1
Karplus, M.2
Pettitt, B.M.3
-
9
-
-
0028891601
-
A method for characterizing transition concertedness from polymer dynamics computer simulations
-
Brown, M. L., R. M. Venable, and R. W. Pastor. 1995. A method for characterizing transition concertedness from polymer dynamics computer simulations. Biopolymers. 35:31-46.
-
(1995)
Biopolymers
, vol.35
, pp. 31-46
-
-
Brown, M.L.1
Venable, R.M.2
Pastor, R.W.3
-
10
-
-
0026561283
-
Structural and functional characterization of the phosphorylated adipocyte lipid-binding protein (pp15)
-
Buelt, M. K., Z. Xu, L. J. Banaszak, and D. A. Bernlohr. 1992. Structural and functional characterization of the phosphorylated adipocyte lipid-binding protein (pp15). Biochemistry. 31:3493-3499.
-
(1992)
Biochemistry
, vol.31
, pp. 3493-3499
-
-
Buelt, M.K.1
Xu, Z.2
Banaszak, L.J.3
Bernlohr, D.A.4
-
11
-
-
0024595766
-
Fatty acid interactions with rat intestinal and liver fatty acid-binding proteins expressed in Escherichia coli
-
Cistola, D. P., J. C. Sacchettini, L. J. Banaszak, M. T. Walsh, and J. I. Gordon. 1989. Fatty acid interactions with rat intestinal and liver fatty acid-binding proteins expressed in Escherichia coli. J. Biol. Chem. 264:2700-2710.
-
(1989)
J. Biol. Chem.
, vol.264
, pp. 2700-2710
-
-
Cistola, D.P.1
Sacchettini, J.C.2
Banaszak, L.J.3
Walsh, M.T.4
Gordon, J.I.5
-
12
-
-
0028912595
-
A sampling problem in molecular dynamics simulations of macromolecules
-
Clarage, J. B., T. Ramo, B. K. Andrews, B. M. Pettitt, and G. N. Phillips, Jr. 1995. A sampling problem in molecular dynamics simulations of macromolecules. Proc. Natl. Acad. Sci. USA. 92:3288-3292.
-
(1995)
Proc. Natl. Acad. Sci. USA
, vol.92
, pp. 3288-3292
-
-
Clarage, J.B.1
Ramo, T.2
Andrews, B.K.3
Pettitt, B.M.4
Phillips Jr., G.N.5
-
13
-
-
0003932766
-
-
W. H. Freeman, New York
-
Creighton, T. E. 1994. Proteins. W. H. Freeman, New York.
-
(1994)
Proteins
-
-
Creighton, T.E.1
-
15
-
-
26744439822
-
Fourier transform infrared spectroscopy of fatty acid binding protein
-
Gericke, A., J. Storch, and R. Mendelsohn. 1997. Fourier transform infrared spectroscopy of fatty acid binding protein. Biophys. J. 72:A308.
-
(1997)
Biophys. J.
, vol.72
-
-
Gericke, A.1
Storch, J.2
Mendelsohn, R.3
-
16
-
-
84988087911
-
Calculating the electrostatic potential of molecules in solution: Method and error assessment
-
Gilson, M., K. A. Sharp, and B. Honig. 1988. Calculating the electrostatic potential of molecules in solution: method and error assessment. J. Comp. Chem. 9:327-335.
-
(1988)
J. Comp. Chem.
, vol.9
, pp. 327-335
-
-
Gilson, M.1
Sharp, K.A.2
Honig, B.3
-
17
-
-
0029083369
-
Surface lysine residues modulate the collisional transfer of fatty acid from adipocyte fatty acid binding protein to membranes
-
Herr, F. M., V. Matarese, D. A. Bernlohr, and J. Storch. 1995. Surface lysine residues modulate the collisional transfer of fatty acid from adipocyte fatty acid binding protein to membranes. Biochemistry. 34: 11840-11845.
-
(1995)
Biochemistry
, vol.34
, pp. 11840-11845
-
-
Herr, F.M.1
Matarese, V.2
Bernlohr, D.A.3
Storch, J.4
-
18
-
-
0031036243
-
Discrete backbone disorder in the nuclear magnetic resonance structure of apo intestinal fatty acid binding protein: Implications for the mechanism of ligand entry
-
Hodsdon, M. E., and D. P. Cistola. 1997. Discrete backbone disorder in the nuclear magnetic resonance structure of apo intestinal fatty acid binding protein: implications for the mechanism of ligand entry. Biochemistry. 36:1450-1460.
-
(1997)
Biochemistry
, vol.36
, pp. 1450-1460
-
-
Hodsdon, M.E.1
Cistola, D.P.2
-
19
-
-
0027536858
-
Ligand-protein electrostatic interactions govern the specificity of retinol- and fatty acid-binding proteins
-
Jakoby, M. G., K. R. Miller, J. J. Toner, A. Bauman, L. Cheng, E. Li, and D. P. Cistola. 1993. Ligand-protein electrostatic interactions govern the specificity of retinol-and fatty acid-binding proteins. Biochemistry. 32:872-878.
-
(1993)
Biochemistry
, vol.32
, pp. 872-878
-
-
Jakoby, M.G.1
Miller, K.R.2
Toner, J.J.3
Bauman, A.4
Cheng, L.5
Li, E.6
Cistola, D.P.7
-
20
-
-
7044239742
-
Free energy calculations: Applications to chemical and biochemical phenomena
-
Kollman, P. 1993. Free energy calculations: applications to chemical and biochemical phenomena. Chem. Rev. 93:2395-2417.
-
(1993)
Chem. Rev.
, vol.93
, pp. 2395-2417
-
-
Kollman, P.1
-
22
-
-
0028206116
-
X-ray crystallographic structures of adipocyte lipid-binding protein complexed with palmitate and hexadecanesulfonic acid. Properties of cavity binding sites
-
LaLonde, J. M., D. A. Bernlohr, and L. J. Banaszak. 1994b. X-ray crystallographic structures of adipocyte lipid-binding protein complexed with palmitate and hexadecanesulfonic acid. Properties of cavity binding sites. Biochemistry. 33:4885-4895.
-
(1994)
Biochemistry
, vol.33
, pp. 4885-4895
-
-
LaLonde, J.M.1
Bernlohr, D.A.2
Banaszak, L.J.3
-
23
-
-
0028136965
-
Expression of human liver fatty acid-binding protein in Escherichia coli and comparative analysis of its binding characteristics with muscle fatty acid-binding protein
-
Maatman, R. G. H. J., H. T. B. van Moerkerk, I. M. A. Nooren, E. J. J. van Zoelen, and J. H. Veerkamp. 1994. Expression of human liver fatty acid-binding protein in Escherichia coli and comparative analysis of its binding characteristics with muscle fatty acid-binding protein. Biochim. Biophys. Acta. 1214:1-10.
-
(1994)
Biochim. Biophys. Acta
, vol.1214
, pp. 1-10
-
-
Maatman, R.G.H.J.1
Van Moerkerk, H.T.B.2
Nooren, I.M.A.3
Van Zoelen, E.J.J.4
Veerkamp, J.H.5
-
24
-
-
0023676229
-
Purification of murine adipocyte lipid-binding protein: Characterization as a fatty acid and retinoic acid binding protein
-
Matarese, V., and D. A. Bernlohr. 1988. Purification of murine adipocyte lipid-binding protein: characterization as a fatty acid and retinoic acid binding protein. J. Biol. Chem. 263:14544-14551.
-
(1988)
J. Biol. Chem.
, vol.263
, pp. 14544-14551
-
-
Matarese, V.1
Bernlohr, D.A.2
-
26
-
-
0027282014
-
Titration calorimetry as a binding assay for lipid-binding proteins
-
Miller, K. R., and D. P. Cistola. 1993. Titration calorimetry as a binding assay for lipid-binding proteins. Mol. Cell. Biochem. 123:29-37.
-
(1993)
Mol. Cell. Biochem.
, vol.123
, pp. 29-37
-
-
Miller, K.R.1
Cistola, D.P.2
-
27
-
-
33748662705
-
+ translocation along a model proton wire
-
+ translocation along a model proton wire. J. Phys. Chem. 100:2519-2527.
-
(1996)
J. Phys. Chem.
, vol.100
, pp. 2519-2527
-
-
Pomes, R.1
Roux, B.2
-
28
-
-
0030043243
-
Molecular dynamics simulations of adipocyte lipid-binding protein: Effect of electrostatics and acyl chain unsaturation
-
Rich, M. R., and J. S. Evans. 1996. Molecular dynamics simulations of adipocyte lipid-binding protein: effect of electrostatics and acyl chain unsaturation. Biochemistry. 35:1506-1515.
-
(1996)
Biochemistry
, vol.35
, pp. 1506-1515
-
-
Rich, M.R.1
Evans, J.S.2
-
29
-
-
0027275837
-
Interactions of long-chain fatty acids and albumin: Determination of free fatty acid levels using the fluorescent probe ADIFAB
-
Richieri, G. V., A. Anel, and A. M. Kleinfeld. 1993. Interactions of long-chain fatty acids and albumin: determination of free fatty acid levels using the fluorescent probe ADIFAB. Biochemistry. 32: 7574-7580.
-
(1993)
Biochemistry
, vol.32
, pp. 7574-7580
-
-
Richieri, G.V.1
Anel, A.2
Kleinfeld, A.M.3
-
30
-
-
0027089776
-
A fluorescently labeled intestinal fatty acid binding protein. Interactions with fatty acids and its use in monitoring free fatty acids
-
Richieri, G. V., R. T. Ogata, and A. M. Kleinfeld. 1992. A fluorescently labeled intestinal fatty acid binding protein. Interactions with fatty acids and its use in monitoring free fatty acids. J. Biol. Chem. 267: 23495-23501.
-
(1992)
J. Biol. Chem.
, vol.267
, pp. 23495-23501
-
-
Richieri, G.V.1
Ogata, R.T.2
Kleinfeld, A.M.3
-
31
-
-
0028076831
-
Equilibrium constants for the binding of fatty acids with fatty acid-binding proteins from adipocyte, intestine, heart, and liver measured with the fluorescent probe ADIFAB
-
Richieri, G. V., R. T. Ogata, and A. M. Kleinfeld. 1994. Equilibrium constants for the binding of fatty acids with fatty acid-binding proteins from adipocyte, intestine, heart, and liver measured with the fluorescent probe ADIFAB. J. Biol. Chem. 269:23918-23930.
-
(1994)
J. Biol. Chem.
, vol.269
, pp. 23918-23930
-
-
Richieri, G.V.1
Ogata, R.T.2
Kleinfeld, A.M.3
-
32
-
-
0029034233
-
Thermodynamics of fatty acid binding to fatty acid-binding proteins and fatty acid partition between water and membranes measured using the fluorescent probe ADIFAB
-
Richieri, G. V., R. T. Ogata, and A. M. Kleinfeld. 1995. Thermodynamics of fatty acid binding to fatty acid-binding proteins and fatty acid partition between water and membranes measured using the fluorescent probe ADIFAB. J. Biol. Chem. 270:15076-15084.
-
(1995)
J. Biol. Chem.
, vol.270
, pp. 15076-15084
-
-
Richieri, G.V.1
Ogata, R.T.2
Kleinfeld, A.M.3
-
33
-
-
17544371709
-
Kinetics of fatty acid interactions with fatty acid binding proteins from adipocyte, heart, and intestine
-
Richieri, G. V., R. T. Ogata, and A. M. Kleinfeld. 1996. Kinetics of fatty acid interactions with fatty acid binding proteins from adipocyte, heart, and intestine. J. Biol. Chem. 271:11291-11300.
-
(1996)
J. Biol. Chem.
, vol.271
, pp. 11291-11300
-
-
Richieri, G.V.1
Ogata, R.T.2
Kleinfeld, A.M.3
-
34
-
-
0027244075
-
Rat intestinal fatty acid binding protein. A model system for analyzing the forces that can bind fatty acids to proteins
-
Sacchettini, J. C., and J. I. Gordon. 1993. Rat intestinal fatty acid binding protein. A model system for analyzing the forces that can bind fatty acids to proteins. J. Biol. Chem. 268:18399-18402.
-
(1993)
J. Biol. Chem.
, vol.268
, pp. 18399-18402
-
-
Sacchettini, J.C.1
Gordon, J.I.2
-
35
-
-
0002062192
-
Empirical potential energy function for phospholipids: Criteria for parameter optimization and applications
-
K. M. J. Merz and B. Roux, editors. Birkhäuser, Boston
-
Schlenkrich, M., J. Brickmann, A. D. J. MacKerell, and M. Karplus. 1996. Empirical potential energy function for phospholipids: criteria for parameter optimization and applications. In Biological Membranes: A Molecular Perspective from Computation and Experiment. K. M. J. Merz and B. Roux, editors. Birkhäuser, Boston. 31-81.
-
(1996)
Biological Membranes: A Molecular Perspective from Computation and Experiment
, pp. 31-81
-
-
Schlenkrich, M.1
Brickmann, J.2
MacKerell, A.D.J.3
Karplus, M.4
-
36
-
-
26744442193
-
Molecular dynamics simulations of intestinal fatty acid binding protein
-
Tychko, M., and T. B. Woolf. 1997. Molecular dynamics simulations of intestinal fatty acid binding protein. Biophys. J. 72:A309.
-
(1997)
Biophys. J.
, vol.72
-
-
Tychko, M.1
Woolf, T.B.2
-
37
-
-
0027515072
-
Molecular dynamics simulations of a lipid bilayer and of hexadecane: An investigation of membrane fluidity
-
Venable, R. M., Y. Zhang, B. J. Hardy, and R. W. Pastor. 1993. Molecular dynamics simulations of a lipid bilayer and of hexadecane: an investigation of membrane fluidity. Science. 262:223-226.
-
(1993)
Science
, vol.262
, pp. 223-226
-
-
Venable, R.M.1
Zhang, Y.2
Hardy, B.J.3
Pastor, R.W.4
-
38
-
-
0026554620
-
Crystal structure of recombinant murine adipocyte lipid-binding protein
-
Xu, Z., D. A. Bernlohr, and L. J. Banaszak. 1992. Crystal structure of recombinant murine adipocyte lipid-binding protein. Biochemistry. 31: 3484-3492.
-
(1992)
Biochemistry
, vol.31
, pp. 3484-3492
-
-
Xu, Z.1
Bernlohr, D.A.2
Banaszak, L.J.3
-
39
-
-
0027480327
-
The adipocyte lipid-binding protein at 1.6 Å resolution
-
Xu, Z., D. A. Bernlohr, and L. J. Banaszak. 1993. The adipocyte lipid-binding protein at 1.6 Å resolution. J. Biol. Chem. 268:7874-7884.
-
(1993)
J. Biol. Chem.
, vol.268
, pp. 7874-7884
-
-
Xu, Z.1
Bernlohr, D.A.2
Banaszak, L.J.3
-
40
-
-
0028773645
-
Structural studies on human muscle fatty acid binding protein at 1.4 Å resolution: Binding interactions with three C18 fatty acids
-
Young, A. C., G. Scapin, A. Kromminga, S. B. Patel, J. H. Veerkamp, and J. C. Sacchettini. 1994. Structural studies on human muscle fatty acid binding protein at 1.4 Å resolution: binding interactions with three C18 fatty acids. Structure. 2:523-534.
-
(1994)
Structure
, vol.2
, pp. 523-534
-
-
Young, A.C.1
Scapin, G.2
Kromminga, A.3
Patel, S.B.4
Veerkamp, J.H.5
Sacchettini, J.C.6
-
41
-
-
0028092978
-
A possible route for the release of fatty acid from fatty acid-binding protein
-
Zanotti, G., L. Feltre, and P. Spadon. 1994. A possible route for the release of fatty acid from fatty acid-binding protein. Biochem. J. 301 (Part 2):459-463.
-
(1994)
Biochem. J.
, vol.301
, Issue.2 PART
, pp. 459-463
-
-
Zanotti, G.1
Feltre, L.2
Spadon, P.3
|