-
1
-
-
0026552361
-
Folding and function of a T4 lysozyme containing 10 consecutive alanines illustrate the redundancy of information in an amino acid sequence
-
Heinz, D. W.; Baase, W. A.; Matthews, B. W. Folding and function of a T4 lysozyme containing 10 consecutive alanines illustrate the redundancy of information in an amino acid sequence. Proc. Natl. Acad. Sci. U.S.A. 1992, 89 (9), 3751-3755.
-
(1992)
Proc. Natl. Acad. Sci. U.S.A
, vol.89
, Issue.9
, pp. 3751-3755
-
-
Heinz, D.W.1
Baase, W.A.2
Matthews, B.W.3
-
2
-
-
15744370513
-
Molecular structure of human galactokinase: Implications for type II galactosemia
-
Thoden, J. B.; Timson, D. J.; Reece, R. J.; Holden, H. M. Molecular structure of human galactokinase: Implications for type II galactosemia. J. Biol. Chem. 2005, 280 (10), 9662-9670.
-
(2005)
J. Biol. Chem
, vol.280
, Issue.10
, pp. 9662-9670
-
-
Thoden, J.B.1
Timson, D.J.2
Reece, R.J.3
Holden, H.M.4
-
3
-
-
36649035925
-
Quantifying the intrinsic effects of two point mutation models of Pro-Pro diamino acid diamide: A First-Principle Computational Study
-
Online early access, DOI: 10.1021/jp073471h. Published Online: Sept 8
-
Sahai, M. A.; Viskolcz, B.; Pai, E. F.; Csizmadia, I. G. Quantifying the intrinsic effects of two point mutation models of Pro-Pro diamino acid diamide: A First-Principle Computational Study. J. Phys. Chem. B [Online early access]. DOI: 10.1021/jp073471h. Published Online: Sept 8, 2007. http://pubs.acs.org/cgi-bin/abstract.cgi/jpcbfk/asap/abs/jp073471h.html.
-
(2007)
J. Phys. Chem. B
-
-
Sahai, M.A.1
Viskolcz, B.2
Pai, E.F.3
Csizmadia, I.G.4
-
4
-
-
15744402960
-
First principle computational study on the full conformational space of L-proline diamides
-
Sahai, M. A.; Kehoe, T. A. K.; Koo, J. C. P.; Setiadi, D. H.; Chass, G. A.; Viskolcz, B.; Penke, B.; Pai, E. F.; Csizmadia, I. G. First principle computational study on the full conformational space of L-proline diamides. J. Phys. Chem. A 2005, 109 (11), 2660-2679.
-
(2005)
J. Phys. Chem. A
, vol.109
, Issue.11
, pp. 2660-2679
-
-
Sahai, M.A.1
Kehoe, T.A.K.2
Koo, J.C.P.3
Setiadi, D.H.4
Chass, G.A.5
Viskolcz, B.6
Penke, B.7
Pai, E.F.8
Csizmadia, I.G.9
-
5
-
-
33750360313
-
First-principle computational study on the full conformational space of L-threonine diamide, the energetic stability of cis and trans isomers
-
Sahai, M. A.; Fejer, S. N.; Viskolcz, B.; Pai, E. F.; Csizmadia, I. G. First-principle computational study on the full conformational space of L-threonine diamide, the energetic stability of cis and trans isomers. J. Phys. Chem. A 2006, 110 (40), 11527-11536.
-
(2006)
J. Phys. Chem. A
, vol.110
, Issue.40
, pp. 11527-11536
-
-
Sahai, M.A.1
Fejer, S.N.2
Viskolcz, B.3
Pai, E.F.4
Csizmadia, I.G.5
-
6
-
-
0024063318
-
Conformational preferences of the sequential fragments of the hinge region of the human Igal immunoglobulin molecule
-
Siemion, I. Z.; Pedyczak, A.; Burton, J. Conformational preferences of the sequential fragments of the hinge region of the human Igal immunoglobulin molecule. Biophys. Chem. 1988, 31 (1-2), 35-44.
-
(1988)
Biophys. Chem
, vol.31
, Issue.1-2
, pp. 35-44
-
-
Siemion, I.Z.1
Pedyczak, A.2
Burton, J.3
-
7
-
-
0024421141
-
Tetrapeptide inhibitors of the Igal proteinases from type I Neisseria gonorrhoeae
-
Wood, S. G.; Lynch, M.; Plaut, A. G.; Burton, J. Tetrapeptide inhibitors of the Igal proteinases from type I Neisseria gonorrhoeae. J. Med. Chem. 1989, 32 (10), 2407-2411.
-
(1989)
J. Med. Chem
, vol.32
, Issue.10
, pp. 2407-2411
-
-
Wood, S.G.1
Lynch, M.2
Plaut, A.G.3
Burton, J.4
-
8
-
-
0037108182
-
Toward a computed peptide structure database: The role of a universal atomic numbering system of amino acids in peptides and internal hierarchy of database
-
Chass, G. A.; Sahai, M. A.; Law, J. M. S.; Lovas, S.; Farkas, O.; Perczel, A.; Rivail, J. L.; Csizmadia, I. G. Toward a computed peptide structure database: The role of a universal atomic numbering system of amino acids in peptides and internal hierarchy of database. Int. J. Quantum Chem. 2002, 90 (2), 933-968.
-
(2002)
Int. J. Quantum Chem
, vol.90
, Issue.2
, pp. 933-968
-
-
Chass, G.A.1
Sahai, M.A.2
Law, J.M.S.3
Lovas, S.4
Farkas, O.5
Perczel, A.6
Rivail, J.L.7
Csizmadia, I.G.8
-
9
-
-
1642533621
-
A modular numbering system of selected oligopeptides for molecular computations: Using pre-computed amino acid building blocks
-
Sahai, M. A.; Lovas, S.; Chass, G. A.; Penke, B.; Csizmadia, I. G. A modular numbering system of selected oligopeptides for molecular computations: using pre-computed amino acid building blocks. J. Mol. Struct.: THEOCHEM 2003, 666-667, 169-218.
-
(2003)
J. Mol. Struct.: THEOCHEM
, vol.666-667
, pp. 169-218
-
-
Sahai, M.A.1
Lovas, S.2
Chass, G.A.3
Penke, B.4
Csizmadia, I.G.5
-
10
-
-
1642533610
-
The benefits of a pre-computed amino acid structure database in quantum chemical geometry optimizations of β-turns of peptides
-
Borics, A.; Chass, G. A.; Csizmadia, I. G.; Murphy, R. F.; Lovas, S. The benefits of a pre-computed amino acid structure database in quantum chemical geometry optimizations of β-turns of peptides. J. Mol. Struct.: THEOCHEM 2003, 666-667, 355-359.
-
(2003)
J. Mol. Struct.: THEOCHEM
, vol.666-667
, pp. 355-359
-
-
Borics, A.1
Chass, G.A.2
Csizmadia, I.G.3
Murphy, R.F.4
Lovas, S.5
-
11
-
-
0037108182
-
Toward a computed peptide structure database: The role of a universal atomic numbering system of amino acids in peptides and internal hierarchy of database
-
Chass, G. A.; Sahai, M. A.; Law, J. M. S.; Lovas, S.; Farkas, O.; Perczel, A.; Rivail, J. L.; Csizmadia, I. G. Toward a computed peptide structure database: The role of a universal atomic numbering system of amino acids in peptides and internal hierarchy of database. Int. J. Quantum Chem. 2002, 90 (2), 933-968.
-
(2002)
Int. J. Quantum Chem
, vol.90
, Issue.2
, pp. 933-968
-
-
Chass, G.A.1
Sahai, M.A.2
Law, J.M.S.3
Lovas, S.4
Farkas, O.5
Perczel, A.6
Rivail, J.L.7
Csizmadia, I.G.8
-
12
-
-
0035848447
-
Peptide and protein folding
-
Chasse, G. A.; Rodriguez, A. M.; Mak, M. L.; Deretey, E.; Perczel, A.; Sosa, C. P.; Enriz, R. D.; Csizmadia, I. G. Peptide and protein folding. J. Mol. Struct.: THEOCHEM 2001, 537 (1-3), 319-361.
-
(2001)
J. Mol. Struct.: THEOCHEM
, vol.537
, Issue.1-3
, pp. 319-361
-
-
Chasse, G.A.1
Rodriguez, A.M.2
Mak, M.L.3
Deretey, E.4
Perczel, A.5
Sosa, C.P.6
Enriz, R.D.7
Csizmadia, I.G.8
-
13
-
-
1642451869
-
The fitting and functional analysis of a double rotor potential energy surface for the R and S enantiomers of 1-chloro-3-fluoro-isobutane
-
Kehoe, T. A. K.; Peterson, M. R.; Chass, G. A.; Viskolcz, B.; Stacho, L.; Csizmadia, I. G. The fitting and functional analysis of a double rotor potential energy surface for the R and S enantiomers of 1-chloro-3-fluoro-isobutane. J. Mol. Struct.: THEOCHEM 2003, 666-667, 79-87.
-
(2003)
J. Mol. Struct.: THEOCHEM
, vol.666-667
, pp. 79-87
-
-
Kehoe, T.A.K.1
Peterson, M.R.2
Chass, G.A.3
Viskolcz, B.4
Stacho, L.5
Csizmadia, I.G.6
-
14
-
-
0038292973
-
Peptide models. 1. Topology of selected peptide conformational potential energy surfaces (glycine and alanine derivatives)
-
Perczel, A.; Angyan, J. G.; Kajtar, M.; Viviani, W.; Rivail, J. L.; Marcoccia, J. F.; Csizmadia, I. G. Peptide models. 1. Topology of selected peptide conformational potential energy surfaces (glycine and alanine derivatives). J. Am. Chem. Soc. 1991, 113 (16), 6256-6265.
-
(1991)
J. Am. Chem. Soc
, vol.113
, Issue.16
, pp. 6256-6265
-
-
Perczel, A.1
Angyan, J.G.2
Kajtar, M.3
Viviani, W.4
Rivail, J.L.5
Marcoccia, J.F.6
Csizmadia, I.G.7
-
15
-
-
0000159766
-
Analysis of the topological features of conformational hypersurface of n-butane
-
Peterson, M. R.; Csizmadia, I. G. Analysis of the topological features of conformational hypersurface of n-butane. J. Am. Chem. Soc. 1978, 100 (22), 6911-6916.
-
(1978)
J. Am. Chem. Soc
, vol.100
, Issue.22
, pp. 6911-6916
-
-
Peterson, M.R.1
Csizmadia, I.G.2
-
16
-
-
0013133863
-
Analytic equations for conformation energy surfaces
-
Peterson, M. R.; Csizmadia, I. G. Analytic equations for conformation energy surfaces. Prog. Theor. Org. Chem. 1982, 3, 190-266.
-
(1982)
Prog. Theor. Org. Chem
, vol.3
, pp. 190-266
-
-
Peterson, M.R.1
Csizmadia, I.G.2
-
17
-
-
1642533621
-
A modular numbering system of selected oligopeptides for molecular computations: Using pre-computed amino acid building blocks
-
Sahai, M. A.; Lovas, S.; Chass, G. A.; Penke, B.; Csizmadia, I. G. A modular numbering system of selected oligopeptides for molecular computations: using pre-computed amino acid building blocks. J. Mol. Struct: THEOCHEM 2003, 666-667, 169-218.
-
(2003)
J. Mol. Struct: THEOCHEM
, vol.666-667
, pp. 169-218
-
-
Sahai, M.A.1
Lovas, S.2
Chass, G.A.3
Penke, B.4
Csizmadia, I.G.5
-
18
-
-
0038292973
-
Peptide Models .1. Topology of selected peptide conformational potential energy surfaces (glycine and alanine derivatives)
-
Perczel, A.; Angyan, J. G.; Kajtar, M.; Viviani, W.; Rivail, J. L.; Marcoccia, J. F.; Csizmadia, I. G. Peptide Models .1. Topology of selected peptide conformational potential energy surfaces (glycine and alanine derivatives). J. Am. Chem. Soc. 1991, 113 (16), 6256-6265.
-
(1991)
J. Am. Chem. Soc
, vol.113
, Issue.16
, pp. 6256-6265
-
-
Perczel, A.1
Angyan, J.G.2
Kajtar, M.3
Viviani, W.4
Rivail, J.L.5
Marcoccia, J.F.6
Csizmadia, I.G.7
-
19
-
-
84980104883
-
Quantification of the eigen-value problem
-
Schrodinger, E. Quantification of the eigen-value problem. Ann. Phys. 1926, 79 (6), 489-527.
-
(1926)
Ann. Phys
, vol.79
, Issue.6
, pp. 489-527
-
-
Schrodinger, E.1
-
20
-
-
0001500684
-
An undulatory theory of the mechanics of atoms and molecules
-
Schrodinger, E. An undulatory theory of the mechanics of atoms and molecules. Phys. Rev. 1926, 28 (6), 1049-1070.
-
(1926)
Phys. Rev
, vol.28
, Issue.6
, pp. 1049-1070
-
-
Schrodinger, E.1
-
22
-
-
2342430094
-
New developments in molecular orbital theory
-
Roothan, C. C. New developments in molecular orbital theory. Rev. Mod. Phys. 1951, 23, 69-89.
-
(1951)
Rev. Mod. Phys
, vol.23
, pp. 69-89
-
-
Roothan, C.C.1
-
23
-
-
11144255959
-
Density-functional thermochemistry. IV. A new dynamical correlation functional and implications for exact-exchange mixing
-
Becke, A. D. Density-functional thermochemistry. IV. A new dynamical correlation functional and implications for exact-exchange mixing. J. Chem. Phys. 1996, 104 (3), 1040-1046.
-
(1996)
J. Chem. Phys
, vol.104
, Issue.3
, pp. 1040-1046
-
-
Becke, A.D.1
-
24
-
-
0345491105
-
Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density
-
Lee, C.; Yang, W.; Parr, R. G. Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density. Phys. Rev. B 1988, 37 (2), 785-789.
-
(1988)
Phys. Rev. B
, vol.37
, Issue.2
, pp. 785-789
-
-
Lee, C.1
Yang, W.2
Parr, R.G.3
-
25
-
-
11144255959
-
Density-functional thermochemistry. IV. A new dynamical correlation functional and implications for exact-exchange mixing
-
Becke, A. D. Density-functional thermochemistry. IV. A new dynamical correlation functional and implications for exact-exchange mixing. J. Chem. Phys. 1996, 104 (3), 1040-1046.
-
(1996)
J. Chem. Phys
, vol.104
, Issue.3
, pp. 1040-1046
-
-
Becke, A.D.1
-
26
-
-
0345491105
-
Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density
-
Lee, C.; Yang, W.; Parr, R. G. Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density. Phys. Rev. B 1988, 37 (2), 785-789.
-
(1988)
Phys. Rev. B
, vol.37
, Issue.2
, pp. 785-789
-
-
Lee, C.1
Yang, W.2
Parr, R.G.3
-
27
-
-
84906409167
-
-
Frisch, M. J, Trucks, G. W, Schlegel, H. B, Scuseria, G. E, Robb, M. A, Cheeseman, J. R, Montgomery, J. A, Jr, Vreven, T, Kudin, K. N, Burant, J. C, Millam, J. M, Iyengar, S. S, Tomasi, J, Barone, H, Mennucci, B, Cossi, M, Scalmani, G, Rega, N, Petersson, G. A, Nakatsuji, H, Hada, M, Ehara, M, Toyota, K, Fukada, R, Hasegawa, J, Ishida, M, Nakajima, T, Honda, Y, Kitao, O, Nakai, H, Klene, M, Li, X, Knox, J. E, Hratchian, H. P, Cross, J. B, Bakken, V, Adamo, C, Jaramillo, J, Gomperts, R, Stratmann, R. E, Yazyev, O, Austin, A. J, Cammi, R, Pomelli, C, Ochterski, J. W, Ayala, P. Y, Morokuma, K, Voth, G. A, Salvador, P, Dannenberg, J. J, Zakrzewski, V. G, Dapprich, S, Daniels, A. D, Strain, M. C, Farkas, O, Maliek, D. K, Rabuck, A. D, Raghavachari, K, Foresman, J. B, Ortiz, J. V, Cui, Q, Baboul, A. G, Clifford, S, Cioslowski, J, Stefanov, B. B, Liu, G, Liashenko, A, Piskorz, P, Komaromi, I, Martin, R. L, Fox, D. J, Keit
-
Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Scuseria, G. E.; Robb, M. A.; Cheeseman, J. R.; Montgomery, J. A., Jr.; Vreven, T.; Kudin, K. N.; Burant, J. C.; Millam, J. M.; Iyengar, S. S.; Tomasi, J.; Barone, H.; Mennucci, B.; Cossi, M.; Scalmani, G.; Rega, N.; Petersson, G. A.; Nakatsuji, H.; Hada, M.; Ehara, M.; Toyota, K.; Fukada, R.; Hasegawa, J.; Ishida, M.; Nakajima, T.; Honda, Y.; Kitao, O.; Nakai, H.; Klene, M.; Li, X.; Knox, J. E.; Hratchian, H. P.; Cross, J. B.; Bakken, V.; Adamo, C.; Jaramillo, J.; Gomperts, R.; Stratmann, R. E.; Yazyev, O.; Austin, A. J.; Cammi, R.; Pomelli, C.; Ochterski, J. W.; Ayala, P. Y.; Morokuma, K.; Voth, G. A.; Salvador, P.; Dannenberg, J. J.; Zakrzewski, V. G.; Dapprich, S.; Daniels, A. D.; Strain, M. C.; Farkas, O.; Maliek, D. K.; Rabuck, A. D.; Raghavachari, K.; Foresman, J. B.; Ortiz, J. V.; Cui, Q.; Baboul, A. G.; Clifford, S.; Cioslowski, J.; Stefanov, B. B.; Liu, G.; Liashenko, A.; Piskorz, P.; Komaromi, I.; Martin, R. L.; Fox, D. J.; Keith, T.; Al-Laham, M. A.; Peng, C. Y.; Nanayakkara, A.; Challacombe, M.; Gill, P. M. W.; Johnson, B.; Chen, W.; Wong, M. W.; Gonzalez, C.; Pople, J. A. Gaussian 03, revision B.01; Gaussian, Inc.: Wallingford, CT, 2004.
-
-
-
-
28
-
-
84906363453
-
-
Origin, version 7.5; OriginLab Corporation: Northampton, MA, 2003
-
Origin, version 7.5; OriginLab Corporation: Northampton, MA, 2003.
-
-
-
-
29
-
-
31344444913
-
Hydrogen bonds: Relation between lengths and electron densities at bond critical points
-
Tang, T. H.; Deretey, E.; Jensen, S. J. K.; Csizmadia, I. G. Hydrogen bonds: relation between lengths and electron densities at bond critical points. Eur. Phys. J. D 2006, 37 (2), 217-222.
-
(2006)
Eur. Phys. J. D
, vol.37
, Issue.2
, pp. 217-222
-
-
Tang, T.H.1
Deretey, E.2
Jensen, S.J.K.3
Csizmadia, I.G.4
-
31
-
-
33947440291
-
Atomic radii and interatomic distances in metals
-
Pauling, L. Atomic radii and interatomic distances in metals. J. Am. Chem. Soc. 1947, 69 (3), 542-553.
-
(1947)
J. Am. Chem. Soc
, vol.69
, Issue.3
, pp. 542-553
-
-
Pauling, L.1
-
32
-
-
0001147338
-
+ in liquid water
-
+ in liquid water. J. Mol. Liq. 1997, 73-74, 513-520.
-
(1997)
J. Mol. Liq
, vol.73-74
, pp. 513-520
-
-
Agmon, N.1
-
33
-
-
33846054981
-
Thermodynamic functions of conformational changes: Conformational network of glycine diamide folding, entropy lowering, and informational accumulation
-
Fejer, S. N.; Csizmadia, I. G.; Viskolcz, B. Thermodynamic functions of conformational changes: Conformational network of glycine diamide folding, entropy lowering, and informational accumulation. J. Phys. Chem. A 2006, 110 (49), 13325-13331.
-
(2006)
J. Phys. Chem. A
, vol.110
, Issue.49
, pp. 13325-13331
-
-
Fejer, S.N.1
Csizmadia, I.G.2
Viskolcz, B.3
-
34
-
-
33645529637
-
Thermodynamic functions of conformational changes. 2. Conformational entropy as a measure of information accumulation
-
Viskolcz, B.; Fejer, S. N.; Csizmadia, I. G. Thermodynamic functions of conformational changes. 2. Conformational entropy as a measure of information accumulation. J. Phys. Chem. A 2006, 110 (10), 3808-3811.
-
(2006)
J. Phys. Chem. A
, vol.110
, Issue.10
, pp. 3808-3811
-
-
Viskolcz, B.1
Fejer, S.N.2
Csizmadia, I.G.3
|