| |
PDBTM: Protein Data Bank of transmembrane proteins after 8 years. |
| |
Nucleic Acids Res
41,
D524-9 |
|
| |
CMWeb: an interactive on-line tool for analysing residue-residue contacts and contact prediction methods. |
| |
Nucleic Acids Res
40,
W329-33 |
|
| |
Disordered Binding Regions and Linear Motifs-Bridging the Gap between Two Models of Molecular Recognition. |
| |
PLoS ONE
7,
e46829 |
|
| |
Is there a biological cost of protein disorder? Analysis of cancer-associated mutations. |
| |
Mol Biosyst
8,
296-307 |
|
|
5. |
Bernstein N, Várnai C, Solt I, Winfield SA, Payne MC, Simon I, Fuxreiter M and Csányi G (2012) [22089416] |
 |
| |
QM/MM simulation of liquid water with an adaptive quantum region. |
| |
Phys Chem Chem Phys
14,
646-656 |
|
|
6. |
Di Paolo ML, Lunelli M, Fuxreiter M, Rigo A, Simon I and Scarpa M (2011) [21294844] |
 |
| |
Active site residue involvement in mono- or di-amine oxidation catalysed by pea seedling amine oxidase. |
| |
FEBS J
278,
1232-1243 |
|
|
7. |
Fuxreiter M, Simon I and Bondos S (2011) [21620710] |
 |
| |
Dynamic protein-DNA recognition: beyond what can be seen. |
| |
Trends Biochem Sci
36,
415-423 |
|
| |
Nucleotide pyrophosphatase employs a P-loop-like motif to enhance catalytic power and NDP/NTP discrimination. |
| |
P Natl Acad Sci Usa
108,
14437-14442 |
|
| |
Proteins with Complex Architecture as Potential Targets for Drug Design: A Case Study of Mycobacterium tuberculosis. |
| |
PLoS Comput Biol
7,
e1002118 |
|
| |
The expanding view of protein-protein interactions: complexes involving intrinsically disordered proteins. |
| |
Phys Biol
8,
035003 |
|
| |
Bioinformatical approaches to characterize intrinsically disordered/unstructured proteins. |
| |
Brief Bioinform
11,
225-243 |
|
| |
Topology prediction of helical transmembrane proteins: how far have we reached? |
| |
Curr Protein Pept Sc
11,
550-61 |
|
| |
ANCHOR: web server for predicting protein binding regions in disordered proteins. |
| |
Bioinformatics
25,
2745-6 |
|
|
14. |
Tompa P, Fuxreiter M, Oldfield CJ, Simon I, Dunker AK and Uversky VN (2009) [19260013] |
 |
| |
Close encounters of the third kind: disordered domains and the interactions of proteins. |
| |
Bioessays
31,
328-35 |
|
| |
Disordered tails of homeodomains facilitate DNA recognition by providing a trade-off between folding and specific binding. |
| |
J Am Chem Soc
131,
15084-5 |
|
|
16. |
Madrid-Aliste CJ, Dybas JM, Angeletti RH, Weiss LM, Kim K, Simon I and Fiser A (2009) [19159464] |
 |
| |
EPIC-DB: a proteomics database for studying Apicomplexan organisms. |
| |
BMC Genomics
10,
38 |
|
|
17. |
Solt I, Kulhánek P, Simon I, Winfield S, Payne MC, Csányi G and Fuxreiter M (2009) [19341253] |
 |
| |
Evaluating Boundary Dependent Errors in QM/MM Simulations. |
| |
J Phys Chem B
113,
5728-5735 |
|
| |
Prediction of protein binding regions in disordered proteins. |
| |
PLoS Comput Biol
5,
e1000376 |
|
|
19. |
Mones L, Kulhánek P, Simon I, Laio A and Fuxreiter M (2009) [19432459] |
 |
| |
The Energy Gap as a Universal Reaction Coordinate for the Simulation of Chemical Reactions. |
| |
J Phys Chem B
113,
7867-7873 |
|
| |
Assessing Conservation of Disordered Regions in Proteins |
| |
The Open Proteomics Journal
1,
46-53 |
|
| |
Malleable machines in transcription regulation: the mediator complex. |
| |
PLoS Comput Biol
4,
e1000243 |
|
|
22. |
Fuxreiter M, Tompa P, Simon I, Uversky VN, Hansen JC and Asturias FJ (2008) [19008886] |
 |
| |
Malleable machines take shape in eukaryotic transcriptional regulation. |
| |
Nat Chem Biol
4,
728-37 |
|
| |
Substrate Preference of Transglutaminase 2 Revealed by Logistic Regression Analysis and Intrinsic Disorder Examination. |
| |
J Mol Biol
383,
390-402 |
|
| |
TOPDB: topology data bank of transmembrane proteins. |
| |
Nucleic Acids Res
36,
D234-9 |
|
| |
TOPDOM: database of domains and motifs with conservative location in transmembrane proteins. |
| |
Bioinformatics
24,
1469-70 |
|
|
26. |
Chuluunbaatar T, Ivanenko-Johnston T, Fuxreiter M, Meleshko R, Raskó T, Simon I, Heitman J and Kiss A (2007) [17442645] |
 |
| |
An EcoRI-RsrI chimeric restriction endonuclease retains parental sequence specificity. |
| |
Bba-proteins Proteom
1774,
583-94 |
|
|
27. |
Solt I, Simon I, Császár AG and Fuxreiter M (2007) [17497910] |
 |
| |
Electrostatic versus nonelectrostatic effects in DNA sequence discrimination by divalent ions Mg2+ and Mn2+. |
| |
J Phys Chem B
111,
6272-9 |
|
|
28. |
Németh-Pongrácz V, Barabás O, Fuxreiter M, Simon I, Pichová I, Rumlová M, Zábranská H, Svergun D, Petoukhov M, Harmat V, Klement E, Hunyadi-Gulyás E, Medzihradszky KF, Kónya E and Vértessy BG (2007) [17169987] |
 |
| |
Flexible segments modulate co-folding of dUTPase and nucleocapsid proteins. |
| |
Nucleic Acids Res
35,
495-505 |
|
| |
Impact of Ligand Protonation on Virtual Screening against beta-Secretase (BACE1). |
| |
J Chem Inf Model
47,
2366-73 |
|
| |
Local structural disorder imparts plasticity on linear motifs. |
| |
Bioinformatics
23,
950-6 |
|
| |
Metal-binding sites at the active site of restriction endonuclease BamHI can conform to a one-ion mechanism. |
| |
Biol Chem
388,
73-8 |
|
| |
Molecular principles of the interactions of disordered proteins. |
| |
J Mol Biol
372,
549-61 |
|
| |
Prediction of protein disorder at the domain level. |
| |
Curr Protein Pept Sc
8,
161-71 |
|
| |
Probing the two-metal ion mechanism in the restriction endonuclease BamHI. |
| |
Biochemistry-us
46,
14514-23 |
|
| |
Towards proteomic approaches for the identification of structural disorder. |
| |
Curr Protein Pept Sc
8,
173-9 |
|
| |
Disorder and sequence repeats in hub proteins and their implications for network evolution. |
| |
J Proteome Res
5,
2985-95 |
|
| |
Membrane topology of human ABC proteins. |
| |
FEBS Lett
580,
1017-22 |
|
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38. |
Sakajiri T, Kikuchi T, Simon I, Uchida K, Yamamura T, Ishii T and Yajima H (2006) [-100002908] |
|
| |
Molecular dynamics approach to study the discrepancies in the thermal behavior of amylose and chitosan conformations. |
| |
J Mol Struc-theochem
764,
133-140 |
|
| |
Phosphorylation-induced transient intrinsic structure in the kinase-inducible domain of CREB facilitates its recognition by the KIX domain of CBP. |
| |
Proteins
64,
749-57 |
|
| |
Prevalent structural disorder in E. coli and S. cerevisiae proteomes. |
| |
J Proteome Res
5,
1996-2000 |
|
| |
The BiSearch web server. |
| |
BMC Bioinformatics
7,
431 |
|
| |
BiSearch: primer-design and search tool for PCR on bisulfite-treated genomes. |
| |
Nucleic Acids Res
33,
e9 |
|
| |
Flexibility of prolyl oligopeptidase: molecular dynamics and molecular framework analysis of the potential substrate pathways. |
| |
Proteins
60,
504-12 |
|
|
44. |
Fuxreiter M, Mezei M, Simon I and Osman R (2005) [15894630] |
 |
| |
Interfacial water as a hydration fingerprint in the noncognate complex of BamHI. |
| |
Biophys J
89,
903-11 |
|
| |
IUPred: web server for the prediction of intrinsically unstructured regions of proteins based on estimated energy content. |
| |
Bioinformatics
21,
3433-4 |
|
| |
PDB_TM: selection and membrane localization of transmembrane proteins in the protein data bank. |
| |
Nucleic Acids Res
33,
D275-8 |
|
| |
SRide: a server for identifying stabilizing residues in proteins. |
| |
Nucleic Acids Res
33,
W303-5 |
|
| |
The pairwise energy content estimated from amino acid composition discriminates between folded and intrinsically unstructured proteins. |
| |
J Mol Biol
347,
827-39 |
|
| |
TMDET: web server for detecting transmembrane regions of proteins by using their 3D coordinates. |
| |
Bioinformatics
21,
1276-7 |
|
| |
Functionally and structurally relevant residues of enzymes: are they segregated or overlapping? |
| |
FEBS Lett
567,
239-42 |
|
|
51. |
Gromiha MM, Pujadas G, Magyar C, Selvaraj S and Simon I (2004) [15048825] |
 |
| |
Locating the stabilizing residues in (alpha/beta)8 barrel proteins based on hydrophobicity, long-range interactions, and sequence conservation. |
| |
Proteins
55,
316-29 |
|
| |
Noncovalent cross-links in context with other structural and functional elements of proteins. |
| |
J Chem Inf Comput Sci
44,
347-51 |
|
| |
Preformed structural elements feature in partner recognition by intrinsically unstructured proteins. |
| |
J Mol Biol
338,
1015-26 |
|
|
54. |
Cserző M, Eisenhaber F, Eisenhaber B and Simon I (2004) [14693825] |
 |
| |
TM or not TM: transmembrane protein prediction with low false positive rate using DAS-TMfilter. |
| |
Bioinformatics
20,
136-7 |
|
| |
Transmembrane proteins in the Protein Data Bank: identification and classification. |
| |
Bioinformatics
20,
2964-72 |
|
|
56. |
Fuxreiter M, Osman R and Simon I (2003) [-100002800] |
|
| |
Computational approaches to restrictionendonucleases. |
| |
J Mol Struc-theochem
666-667,
469-479 |
|
|
57. |
Gardy JL, Spencer C, Wang K, Ester M, Tusnády GE, Simon I, Hua S, deFays K, Lambert C, Nakai K and Brinkman FS (2003) [12824378] |
 |
| |
PSORT-B: Improving protein subcellular localization prediction for Gram-negative bacteria. |
| |
Nucleic Acids Res
31,
3613-7 |
|
| |
SCide: identification of stabilization centers in proteins. |
| |
Bioinformatics
19,
899-900 |
|
| |
Servers for sequence-structure relationship analysis and prediction. |
| |
Nucleic Acids Res
31,
3359-63 |
|
|
60. |
Simon Á, Simon I and Rajnavölgyi É (2002) [11858823] |
 |
| |
Modeling MHC class II molecules and their bound peptides as expressed at the cell surface. |
| |
Mol Immunol
38,
681-7 |
|
|
61. |
Cserző M, Eisenhaber F, Eisenhaber B and Simon I (2002) [12456873] |
 |
| |
On filtering false positive transmembrane protein predictions. |
| |
Protein Eng
15,
745-52 |
|
|
62. |
Fiser A and Simon I (2002) [12078485] |
 |
| |
Predicting redox state of cysteines in proteins. |
| |
Method Enzymol
353,
10-21 |
|
|
63. |
Fuxreiter M and Simon I (2002) [12142452] |
 |
| |
Protein stability indicates divergent evolution of PD-(D/E)XK type II restriction endonucleases. |
| |
Protein Sci
11,
1978-83 |
|
|
64. |
Fuxreiter M, Luo N, Jedlovszky P, Simon I and Osman R (2002) [12417196] |
 |
| |
Role of base flipping in specific recognition of damaged DNA by repair enzymes. |
| |
J Mol Biol
323,
823-34 |
|
|
65. |
Fuxreiter M and Simon I (2002) [12112699] |
 |
| |
Role of stabilization centers in 4 helix bundle proteins. |
| |
Proteins
48,
320-6 |
|
| |
The role of dimerization in prion replication. |
| |
Biophys J
82,
1711-8 |
|
|
67. |
Mehler EL, Fuxreiter M, Simon I and Garcia-Moreno EB (2002) [12112696] |
 |
| |
The role of hydrophobic microenvironments in modulating pKa shifts in proteins. |
| |
Proteins
48,
283-92 |
|
| |
Predicting protein conformation by statistical methods. |
| |
Biochimica Et Biophysica Acta-protein Structure And Molecular Enzymology
1549,
123-36 |
|
| |
Prion protein: evolution caught en route. |
| |
P Natl Acad Sci Usa
98,
4431-6 |
|
| |
Stabilization centers and protein stability. |
| |
Theor Chem Acc
106,
121-127 |
|
| |
The HMMTOP transmembrane topology prediction server. |
| |
Bioinformatics
17,
849-50 |
|
| |
Topology of membrane proteins. |
| |
J Chem Inf Comput Sci
41,
364-8 |
|
|
73. |
Rajnavölgyi É, Nagy N, Thuresson B, Dosztányi Z, Simon Á, Simon I, Karr RW, Ernberg I, Klein E and Falk KI (2000) [10700463] |
 |
| |
A repetitive sequence of Epstein-Barr virus nuclear antigen 6 comprises overlapping T cell epitopes which induce HLA-DR-restricted CD4(+) T lymphocytes. |
| |
Int Immunol
12,
281-93 |
|
| |
Function-related regulation of the stability of MHC proteins. |
| |
Biophys J
79,
2305-13 |
|
|
75. |
Gogolák P, Simon Á, Horváth A, Réthi B, Simon I, Berkics K, Rajnavölgyi É and Tóth GK (2000) [10733926] |
 |
| |
Mapping of a protective helper T cell epitope of human influenza A virus hemagglutinin. |
| |
Biochem Bioph Res Co
270,
190-8 |
|
|
76. |
Fiser A and Simon I (2000) [10869018] |
 |
| |
Predicting the oxidation state of cysteines by multiple sequence alignment. |
| |
Bioinformatics
16,
251-6 |
|
| |
Stabilization centers in various proteins. |
| |
Theor Chem Acc
101,
27-32 |
|
| |
Principles governing amino acid composition of integral membrane proteins: application to topology prediction. |
| |
J Mol Biol
283,
489-506 |
|
|
79. |
Munteanu MG, Vlahovicek K, Parthasarathy S, Simon I and Pongor S (1998) [9787640] |
 |
| |
Rod models of DNA: sequence-dependent anisotropic elastic modelling of local bending phenomena. |
| |
Trends Biochem Sci
23,
341-7 |
|
| |
Interresidue interactions in protein classes. |
| |
Proteins
27,
360-6 |
|
|
81. |
Cserző M, Wallin E, Simon I, von Heijne G and Elofsson A (1997) [9278280] |
 |
| |
Prediction of transmembrane alpha-helices in prokaryotic membrane proteins: the dense alignment surface method. |
| |
Protein Eng
10,
673-6 |
|
| |
Stabilization centers in proteins: identification, characterization and predictions. |
| |
J Mol Biol
272,
597-612 |
|
|
83. |
Gromiha MM, Munteanu MG, Simon I and Pongor S (1997) [9606078] |
 |
| |
The role of DNA bending in Cro protein-DNA interactions. |
| |
Biophys Chem
69,
153-60 |
|
| |
The role of long-range interactions in defining the secondary structure of proteins is overestimated. |
| |
Comput Appl Biosci.
13,
297-301 |
|
|
85. |
Fiser A, Simon I and Barton GJ (1996) [8955352] |
 |
| |
Conservation of amino acids in multiple alignments: aspartic acid has unexpected conservation. |
| |
FEBS Lett
397,
225-9 |
|
| |
Independence divergence-generated binary trees of amino acids. |
| |
Protein Eng
8,
417-23 |
|
|
87. |
Rani M, Mitra C, Cserző M and Simon I (1995) [-100002657] |
|
| |
Proteins as special subsets of polypeptides. |
| |
J Biosciences
20,
579-590 |
|
|
88. |
Simon I and Pongor S (1995) [-100002656] |
|
| |
Repetitive elements of protein sequences as fossils of early life. |
| |
J Biol Phys
20,
331-334 |
|
| |
Chaos game representation of protein structures. |
| |
J Mol Graph
12,
302-4, 295 |
|
| |
Different Sequence Environments of Amino-acid-residues Involved And Not Involved In Long-range Interactions In Proteins |
| |
Int J Pept Protein Res
43,
205-8 |
|
|
91. |
Cserző M, Bernassau JM, Simon I and Maigret B (1994) [7966267] |
 |
| |
New alignment strategy for transmembrane proteins. |
| |
J Mol Biol
243,
388-96 |
|
| |
Predictions from the regularities of the primary structure of proteins. |
| |
Pept Res.
6,
260-2 |
|
|
93. |
Wolf RM, Francotte E, Simon I, Glasser L and Scheraga HA (1992) [-100002706] |
|
| |
Computation of low energy crystalline arrangements of cellulose triacetate |
| |
Macromolecules
25,
709-720 |
|
| |
Different sequence environments of cysteines and half cystines in proteins. Application to predict disulfide forming residues. |
| |
FEBS Lett
302,
117-20 |
|
|
95. |
Simon I, Glasser L and Scheraga HA (1991) [2023916] |
 |
| |
Calculation of Protein Conformation as An Assembly of Stable Overlapping Segments - Application to Bovine Pancreatic Trypsin-inhibitor |
| |
P Natl Acad Sci Usa
88,
3661-5 |
|
| |
Predicting isomorphic residue replacements for protein design. |
| |
Int J Pept Protein Res
36,
236-9 |
|
|
97. |
Simon I and Cserző M (1990) [2339467] |
 |
| |
Rapid evolution of the amino acid composition of proteins. |
| |
Trends Biochem Sci
15,
135-6 |
|
|
98. |
Vígh R, Cser L, Kilár F and Simon I (1989) [2817894] |
 |
| |
Different segmental flexibility of human serum transferrin and lactoferrin. |
| |
Arch Biochem Biophys
275,
181-4 |
|
|
99. |
Cserző M and Simon I (1989) [2599756] |
 |
| |
Regularities in the primary structure of proteins. |
| |
Int J Pept Protein Res
34,
184-95 |
|
|
100. |
Simon I and Cserző M (1989) [-100002705] |
|
| |
Remarks on the article ‘Genetic code preferentially conserves long-range interactions among the amino acids’ by V. Sitaramam |
| |
FEBS Lett
253,
287 |
|
|
101. |
Simon I, Scheraga HA and Manley RSJ (1988) [-100002703] |
|
| |
Structure of cellulose. 1. Low-energy conformations of single chains. |
| |
Macromolecules
21,
983-990 |
|
|
102. |
Simon I, Glasser L, Scheraga HA and Manley RSJ (1988) [-100002704] |
|
| |
Structure of cellulose. 2. Low-energy crystalline arrangements. |
| |
Macromolecules
21,
990-998 |
|
|
103. |
Vonderviszt F and Simon I (1986) [3767948] |
 |
| |
A possible way for prediction of domain boundaries in globular proteins from amino acid sequence. |
| |
Biochem Bioph Res Co
139,
11-7 |
|
|
104. |
Vonderviszt F, Mátrai G and Simon I (1986) [3733319] |
 |
| |
Characteristic Sequential Residue Environment of Amino-acids In Proteins |
| |
Int J Pept Protein Res
27,
483-92 |
|
| |
Proteins as General Crystals |
| |
J Theor Biol
123,
121-4 |
|
|
106. |
Kilár F, Simon I, Lakatos S, Vonderviszt F, Medgyesi GA and Závodszky P (1985) [3971974] |
 |
| |
Conformation of human IgG subclasses in solution. Small-angle X-ray scattering and hydrodynamic studies. |
| |
Eur J Biochem
147,
17-25 |
|
|
107. |
Náray-Szabó G, Kramer G and Simon I (1985) [2421107] |
 |
| |
Electrostatic effect of trypsin binding on the hydrogen exchange rate of bovine pancreatic trypsin inhibitor beta-sheet NH\'s. |
| |
J Theor Biol
117,
505-8 |
|
| |
Investigation of Protein Refolding - a Special Feature of Native Structure Responsible for Refolding Ability |
| |
J Theor Biol
113,
703-10 |
|
|
109. |
Kilár F and Simon I (1985) [4074838] |
 |
| |
The effect of iron binding on the conformation of transferrin. A small angle x-ray scattering study. |
| |
Biophys J
48,
799-802 |
|
|
110. |
Simon I, Tüchsen E and Woodward C (1984) [-100002702] |
|
| |
Effect of trypsin binding on the hydrogen exchange kinetics of bovine pancreatic trypsin inhibitor beta-sheet NHs |
| |
Biochemistry-us
23,
2064-8 |
|
|
111. |
Woodward C, Simon I and Tüchsen E (1982) [6757714] |
 |
| |
Hydrogen exchange and the dynamic structure of proteins. |
| |
Mol Cell Biochem
48,
135-60 |
|
| |
Coenzyme induced changes in the interdimeric contact surface of D-glyceraldehyde-3-phosphate-dehydrogenase. |
| |
Acta Biochim Biophys Acad Sci Hung
16,
145-9 |
|
| |
Possible Mechanism for the Dynamic Stabilization of Protein-structure |
| |
J Theor Biol
90,
487-93 |
|
|
114. |
Simon I and Asbóth B (1980) [7382523] |
 |
| |
Subunit contact surface--an additional argument in favour of continuous folding during biosynthesis of proteins. |
| |
J Theor Biol
82,
685-8 |
|
| |
Investigation of Protein Folding - Uneven Distribution of Point Mutations Along Polypeptide-chains |
| |
J Theor Biol
81,
247-58 |
|
|
116. |
Simon I, Némethy G and Scheraga HA (1978) [-100002698] |
|
| |
Conformational energy calculations of the effect of sequence variation on the conformation of two tetrapeptides. |
| |
Macromolecules
11,
797-804 |
|
|
117. |
Móra S, Simon I and Elődi P (1974) [4427592] |
 |
| |
Studies on the active center of pancreatic amylase. I. Binding of beta-cyclodextrin. |
| |
Mol Cell Biochem
4,
205-9 |
|
|
118. |
Simon I, Móra S and Elődi P (1974) [4473700] |
 |
| |
Studies on the active center of pancreatic amylase. II. Small angle x-ray scattering investigations. |
| |
Mol Cell Biochem
4,
211-6 |
|
| |
Kisszögő röntgenszórás alkalmazása a fehérjeszerkezet kutatásában. |
| |
MTA Biol Oszt Közl
15,
375-381 |
|
| |
Study of the position of NAD and its effect on the conformation of D-glyceraldehyde-3-phosphate dehydrogenase by small-angle x-ray scattering. |
| |
Eur J Biochem
30,
184-9 |
|
| |
Determination of small alternations in the radius of gyration by small-angle X-ray scattering, |
| |
J Appl Crystallogr
4,
317-318 |
|