Class information for:
Level 1: AB INITIO MO STUDY//DIPEPTIDE WATER COMPLEX//GIOCOMMS

Basic class information
Class id #P Avg. number of
references		 Database coverage
of references
18895 531 33.0 43%


Bar chart of Publication_year

Last years might be incomplete

Hierarchy of classes
The table includes all classes above and classes immediately below the current class.


Cluster id Level Cluster label #P
5 4 CHEMISTRY, ORGANIC//CHEMISTRY, INORGANIC & NUCLEAR//CHEMISTRY, MULTIDISCIPLINARY 1745167
454 3       JOURNAL OF MOLECULAR STRUCTURE//MICROWAVE SPECTROSCOPY//JOURNAL OF MOLECULAR SPECTROSCOPY 25401
1146 2             JOURNAL OF MOLECULAR STRUCTURE//ROTATIONAL SPECTROSCOPY//MICROWAVE SPECTROSCOPY 9523
18895 1                   AB INITIO MO STUDY//DIPEPTIDE WATER COMPLEX//GIOCOMMS 531

Terms with highest relevance score


rank Term termType Chi square Shr. of publ. in
class containing
term		 Class's shr. of
term's tot. occurrences		 #P with
term in
class
1 AB INITIO MO STUDY authKW 207011 1% 60% 6
2 DIPEPTIDE WATER COMPLEX authKW 172513 1% 100% 3
3 GIOCOMMS address 159236 1% 46% 6
4 MULTIDIMENSIONAL CONFORMATIONAL ANALYSIS authKW 153342 1% 67% 4
5 JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM journal 125104 30% 1% 157
6 ATOMIC NUMBERING authKW 115009 0% 100% 2
7 BRANCHED OCTANES authKW 115009 0% 100% 2
8 CONFORMATIONAL GEOMETRY FUNCTIONS authKW 115009 0% 100% 2
9 L ISOLEUCINE RESIDUE authKW 115009 0% 100% 2
10 N ACETYL L ALANINE authKW 115009 0% 100% 2

Web of Science journal categories


Rank Term Chi square Shr. of publ. in
class containing
term		 Class's shr. of
term's tot. occurrences		 #P with
term in
class
1 Chemistry, Physical 4780 62% 0% 329
2 Physics, Atomic, Molecular & Chemical 736 16% 0% 83
3 Chemistry, Multidisciplinary 572 23% 0% 123
4 Spectroscopy 96 4% 0% 23
5 Biophysics 77 5% 0% 29
6 Mathematics, Interdisciplinary Applications 15 2% 0% 9
7 Biochemistry & Molecular Biology 11 9% 0% 47
8 Computer Science, Interdisciplinary Applications 3 1% 0% 7
9 Crystallography 1 1% 0% 6
10 Chemistry, Organic 0 2% 0% 12

Address terms


Rank Term Chi square Shr. of publ. in
class containing
term		 Class's shr. of
term's tot. occurrences		 #P with
term in
class
1 GIOCOMMS 159236 1% 46% 6
2 CHEM CHEM INFORMAT 110887 2% 21% 9
3 CHIM THEOR CNRS UA 510 102225 1% 44% 4
4 ALLGEMEINE PHARMA FOR 57504 0% 100% 1
5 CHIM PHYS EQUIPE RECH SPECT CHIM QUANT 57504 0% 100% 1
6 CHIM THEOR CNR UA 510 57504 0% 100% 1
7 CHIM THEOR CNRS UA 510 BP 239 57504 0% 100% 1
8 PHARMACOL PHARMACOTHER Y ALBERT SZENT GYO 57504 0% 100% 1
9 PROT CHEM GR 57504 0% 100% 1
10 SPE OCHIM INFAROUGE RAMAN 57504 0% 100% 1

Journals


Rank Term Chi square Shr. of publ. in
class containing
term		 Class's shr. of
term's tot. occurrences		 #P with
term in
class
1 JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM 125104 30% 1% 157
2 THEOCHEM-JOURNAL OF MOLECULAR STRUCTURE 47304 3% 5% 16
3 JOURNAL OF COMPUTATIONAL CHEMISTRY 12150 7% 1% 36
4 JOURNAL OF MOLECULAR STRUCTURE 5763 8% 0% 45
5 BIOPOLYMERS 3518 4% 0% 20
6 JOURNAL OF PHYSICAL CHEMISTRY A 1170 5% 0% 25
7 ELECTRONIC JOURNAL OF THEORETICAL CHEMISTRY 1104 0% 2% 1
8 INTERNATIONAL JOURNAL OF PEPTIDE AND PROTEIN RESEARCH 816 1% 0% 6
9 SPECTROSCOPY LETTERS 629 1% 0% 6
10 CANADIAN JOURNAL OF CHEMISTRY-REVUE CANADIENNE DE CHIMIE 626 2% 0% 8

Author Key Words


Rank Term Chi square Shr. of publ. in
class containing
term		 Class's shr. of
term's tot. occurrences		 #P with
term in
class		 LCSH search Wikipedia search
1 AB INITIO MO STUDY 207011 1% 60% 6 Search AB+INITIO+MO+STUDY Search AB+INITIO+MO+STUDY
2 DIPEPTIDE WATER COMPLEX 172513 1% 100% 3 Search DIPEPTIDE+WATER+COMPLEX Search DIPEPTIDE+WATER+COMPLEX
3 MULTIDIMENSIONAL CONFORMATIONAL ANALYSIS 153342 1% 67% 4 Search MULTIDIMENSIONAL+CONFORMATIONAL+ANALYSIS Search MULTIDIMENSIONAL+CONFORMATIONAL+ANALYSIS
4 ATOMIC NUMBERING 115009 0% 100% 2 Search ATOMIC+NUMBERING Search ATOMIC+NUMBERING
5 BRANCHED OCTANES 115009 0% 100% 2 Search BRANCHED+OCTANES Search BRANCHED+OCTANES
6 CONFORMATIONAL GEOMETRY FUNCTIONS 115009 0% 100% 2 Search CONFORMATIONAL+GEOMETRY+FUNCTIONS Search CONFORMATIONAL+GEOMETRY+FUNCTIONS
7 L ISOLEUCINE RESIDUE 115009 0% 100% 2 Search L+ISOLEUCINE+RESIDUE Search L+ISOLEUCINE+RESIDUE
8 N ACETYL L ALANINE 115009 0% 100% 2 Search N+ACETYL+L+ALANINE Search N+ACETYL+L+ALANINE
9 N ACETYL L TRYPTOPHAN N METHYLAMIDE 115009 0% 100% 2 Search N+ACETYL+L+TRYPTOPHAN+N+METHYLAMIDE Search N+ACETYL+L+TRYPTOPHAN+N+METHYLAMIDE
10 PEPTIDE COMPUTATIONS 115009 0% 100% 2 Search PEPTIDE+COMPUTATIONS Search PEPTIDE+COMPUTATIONS

Core articles
The table includes core articles in the class. The following variables is taken into account for the relevance score of an article in a cluster c:
(1) Number of references referring to publications in the class.
(2) Share of total number of active references referring to publications in the class.
(3) Age of the article. New articles get higher score than old articles.
(4) Citation rate, normalized to year.


Rank Reference # ref.
in cl.		 Shr. of ref. in
cl.		 Citations
1 SAHAI, MA , LOVAS, S , CHASS, GA , PENKE, B , CSIZMADIA, IG , (2003) A MODULAR NUMBERING SYSTEM OF SELECTED OLIGOPEPTIDES FOR MOLECULAR COMPUTATIONS: USING PRE-COMPUTED AMINO ACID BUILDING BLOCKS.JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM. VOL. 666. ISSUE . P. 169 -218 39 85% 5
2 CHASS, GA , FARKAS, O , PERCZEL, A , TORDAY, LL , VARRO, A , PAPP, JG , MEHDIZADEH, A , (2002) CONFORMATIONAL EFFECTS OF ONE GLYCINE RESIDUE ON THE OTHER GLYCINE RESIDUES IN THE AC-GLY-GLY-GLY-NHME TRIPEPTIDE MOTIF: AN AB INITIO EXPLORATORY STUDY.JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM. VOL. 588. ISSUE . P. 187 -200 35 97% 3
3 SANTAGATA, LN , SUVIRE, FD , ENRIZ, RD , TORDAY, LL , CSIZMADIA, IG , (1999) A GEOMETRICAL ALGORITHM TO SEARCH THE CONFORMATIONAL SPACE (GASCOS) OF FLEXIBLE MOLECULES.JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM. VOL. 465. ISSUE 1. P. 33 -67 31 91% 13
4 RODRIGUEZ, AM , MAK, ML , DERETEY, E , PERCZEL, A , SOSA, CP , ENRIZ, RD , CSIZMADIA, IG , CHASSE, GA , (2001) PEPTIDE AND PROTEIN FOLDING.JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM. VOL. 537. ISSUE . P. 319 -361 41 61% 21
5 PERCZEL, A , HUDAKY, P , CSIZMADIA, IG , (2000) DECIPHERING FACTORS WHICH DETERMINE THE RAMACHANDRAN SURFACE OF PEPTIDES. THE APPLICATION OF ISODESMIC SURFACES, DELTA E-ID(THETA,PSI), TO ANALYZE THE CONTRIBUTION OF ROTATING MOIETIES TO THE SHAPE OF POTENTIAL ENERGY SURFACES.JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM. VOL. 500. ISSUE . P. 59 -96 25 96% 7
6 TORDAY, LL , VARRO, A , PAPP, JG , CSIZMADIA, IG , KOO, JCP , CHASS, GA , PERCZEL, A , FARKAS, O , (2002) EXPLORATION OF THE FOUR-DIMENSIONAL-CONFORMATIONAL POTENTIAL ENERGY HYPERSURFACE OF N-ACETYL-L-ASPARTIC ACID N'-METHYLAMIDE WITH ITS INTERNALLY HYDROGEN BONDED SIDE-CHAIN ORIENTATION.JOURNAL OF PHYSICAL CHEMISTRY A. VOL. 106. ISSUE 30. P. 6999 -7009 32 68% 7
7 GHOSH, S , MONDAL, S , MISRA, A , DALAI, S , (2007) INVESTIGATION ON THE STRUCTURE OF DIPEPTIDES: A DFT STUDY.JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM. VOL. 805. ISSUE 1-3. P. 133-141 21 84% 12
8 MONDAL, S , CHOWDHURI, DS , GHOSH, S , MISRA, A , DALAI, S , (2007) CONFORMATIONAL STUDY ON DIPEPTIDES CONTAINING PHENYLALANINE: A DFT APPROACH.JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM. VOL. 810. ISSUE 1-3. P. 81-89 21 84% 7
9 RAMEK, M , YU, CH , SCHAFER, L , (1998) AB INITIO CONFORMATIONAL ANALYSIS OF THE MODEL TRIPEPTIDE N-FORMYL-L-ALANYL-L-ALANINE AMIDE.CANADIAN JOURNAL OF CHEMISTRY-REVUE CANADIENNE DE CHIMIE. VOL. 76. ISSUE 5. P. 566 -575 32 59% 15
10 JIANG, XQ , CAO, M , NEWTON, SQ , SCHAFER, L , (1996) PREDICTIONS OF PEPTIDE AND PROTEIN BACKBONE STRUCTURAL PARAMETERS FROM FIRST PRINCIPLES .4. SYSTEMATIC COMPARISONS OF CALCULATED N-C(ALPHA)-C' ANGLES WITH PEPTIDE CRYSTAL STRUCTURES.ELECTRONIC JOURNAL OF THEORETICAL CHEMISTRY. VOL. 1. ISSUE . P. 11-17 27 75% 4

Classes with closest relation at Level 1


Rank Class id link
1 8522 S ESPECT BIOESPECT//GEM//S ESPE OSCOPIA BIOESPE OSCOPIA
2 16087 CONFORMATIONAL SPACE SEARCH//CONFORMATIONAL SEARCH//NAKA WORKS
3 18636 CTCC//POTENTIAL TO INTERNAL ROTATION//SYNTH ACTIVAT BIOMOL
4 7125 CONFORMATIONAL STABILITY//XENON SOLUTIONS//R0 STRUCTURAL PARAMETERS
5 15567 GAS ELECTRON DIFFRACTION//BISTRIMETHYLSTANNYLACETYLENE//DISILYLAMINE
6 7436 ALPHA HELIX//ALPHA HELIX STABILITY//N CAP
7 28740 TETRAFLUORODIPHOSPHINE//1 2 4 THIOTRIAZOLYL 5 MERCAPTOACETIC ACID//1 3 DIFLUORO 1 2 PROPADIENE
8 32054 1 4 DIAZABICYCLO 222OCTANE//1 DIMETHYLAMINO 2 PROPANONE//2 HYDROXY BENZHYDRAZIDE
9 33979 GRP COMPUTAT PHARMACEUT CHEM//D GAUSS//DFT BLYP
10 23499 GROUP EQUIVALENTS//SIMULATION OF MASS SPECTRA//BOND EQUIVALENTS

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