Class information for:
Level 1: WATERMAP//CAMBRIDGE MOL THER EUT PROGRAMME//PROTEIN HYDRATION

Basic class information
Class id #P Avg. number of
references		 Database coverage
of references
23925 329 49.7 82%


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
0 4 BIOCHEMISTRY & MOLECULAR BIOLOGY//CELL BIOLOGY//ONCOLOGY 4064930
219 3       PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS//PROTEIN FOLDING//PROTEIN STRUCTURE PREDICTION 50409
260 2             PROTEIN FOLDING//JOURNAL OF CHEMICAL THEORY AND COMPUTATION//JOURNAL OF COMPUTATIONAL CHEMISTRY 19582
23925 1                   WATERMAP//CAMBRIDGE MOL THER EUT PROGRAMME//PROTEIN HYDRATION 329

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 WATERMAP authKW 456915 2% 62% 8
2 CAMBRIDGE MOL THER EUT PROGRAMME address 371244 2% 67% 6
3 PROTEIN HYDRATION authKW 192732 5% 12% 18
4 BINDING SITE WATER authKW 185624 1% 100% 2
5 CRYOGENIC PROTEIN CRYSTALLOGRAPHY authKW 185624 1% 100% 2
6 INHOMOGENEOUS FLUID SOLVATION THEORY authKW 185624 1% 100% 2
7 SOLVENT DIPOLE authKW 185624 1% 100% 2
8 HYDRATION SITE authKW 185620 1% 50% 4
9 CHEM DOCTORAL address 123748 1% 67% 2
10 INTERDEPARTMENTAL COMPUTAT BIOTECHNOL S address 123748 1% 67% 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, Medicinal 1028 17% 0% 56
2 Biophysics 919 20% 0% 65
3 Computer Science, Interdisciplinary Applications 720 13% 0% 43
4 Biochemistry & Molecular Biology 641 38% 0% 126
5 Chemistry, Multidisciplinary 421 25% 0% 82
6 Physics, Atomic, Molecular & Chemical 290 13% 0% 42
7 Chemistry, Physical 241 20% 0% 67
8 Computer Science, Information Systems 166 6% 0% 21
9 Mathematical & Computational Biology 91 3% 0% 11
10 Biochemical Research Methods 89 6% 0% 21

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 CAMBRIDGE MOL THER EUT PROGRAMME 371244 2% 67% 6
2 CHEM DOCTORAL 123748 1% 67% 2
3 INTERDEPARTMENTAL COMPUTAT BIOTECHNOL S 123748 1% 67% 2
4 ABDULAZIZ ALSAUD COMPUTAT BIOMED 92812 0% 100% 1
5 CANC UNITHUTCHISON MRC 92812 0% 100% 1
6 COMPUTAT CHEM US 92812 0% 100% 1
7 MOL BIOL EUCARYOTES LBME 92812 0% 100% 1
8 MOL MODELING GEN INORGAN CHEM 92812 0% 100% 1
9 MOL PHARMPHARMA 92812 0% 100% 1
10 OMRB 92812 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 CHEMICAL INFORMATION AND MODELING 13157 6% 1% 21
2 PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS 6397 6% 0% 21
3 JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN 6337 3% 1% 11
4 JOURNAL OF CHEMICAL THEORY AND COMPUTATION 5825 5% 0% 17
5 PROTEIN ENGINEERING 4092 3% 0% 10
6 JOURNAL OF COMPUTATIONAL CHEMISTRY 2546 4% 0% 13
7 PROTEIN SCIENCE 1776 3% 0% 11
8 BMC STRUCTURAL BIOLOGY 1661 1% 1% 3
9 JOURNAL OF MEDICINAL CHEMISTRY 1087 5% 0% 16
10 JOURNAL OF PHYSICAL CHEMISTRY B 1042 6% 0% 21

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 WATERMAP 456915 2% 62% 8 Search WATERMAP Search WATERMAP
2 PROTEIN HYDRATION 192732 5% 12% 18 Search PROTEIN+HYDRATION Search PROTEIN+HYDRATION
3 BINDING SITE WATER 185624 1% 100% 2 Search BINDING+SITE+WATER Search BINDING+SITE+WATER
4 CRYOGENIC PROTEIN CRYSTALLOGRAPHY 185624 1% 100% 2 Search CRYOGENIC+PROTEIN+CRYSTALLOGRAPHY Search CRYOGENIC+PROTEIN+CRYSTALLOGRAPHY
5 INHOMOGENEOUS FLUID SOLVATION THEORY 185624 1% 100% 2 Search INHOMOGENEOUS+FLUID+SOLVATION+THEORY Search INHOMOGENEOUS+FLUID+SOLVATION+THEORY
6 SOLVENT DIPOLE 185624 1% 100% 2 Search SOLVENT+DIPOLE Search SOLVENT+DIPOLE
7 HYDRATION SITE 185620 1% 50% 4 Search HYDRATION+SITE Search HYDRATION+SITE
8 INTERNAL SOLVENT 123748 1% 67% 2 Search INTERNAL+SOLVENT Search INTERNAL+SOLVENT
9 SOLVENT MODELING 119326 1% 43% 3 Search SOLVENT+MODELING Search SOLVENT+MODELING
10 3 DIMENSIONAL COMPUTER MODELING 92812 0% 100% 1 Search 3+DIMENSIONAL+COMPUTER+MODELING Search 3+DIMENSIONAL+COMPUTER+MODELING

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 BODNARCHUK, MS , (2016) WATER, WATER, EVERYWHERE ... IT'S TIME TO STOP AND THINK.DRUG DISCOVERY TODAY. VOL. 21. ISSUE 7. P. 1139 -1146 35 55% 1
2 ROSS, GA , MORRIS, GM , BIGGIN, PC , (2012) RAPID AND ACCURATE PREDICTION AND SCORING OF WATER MOLECULES IN PROTEIN BINDING SITES.PLOS ONE. VOL. 7. ISSUE 3. P. - 37 51% 38
3 ROSS, GA , BODNARCHUK, MS , ESSEX, JW , (2015) WATER SITES, NETWORKS, AND FREE ENERGIES WITH GRAND CANONICAL MONTE CARLO.JOURNAL OF THE AMERICAN CHEMICAL SOCIETY. VOL. 137. ISSUE 47. P. 14930 -14943 30 49% 6
4 RAMSEY, S , NGUYEN, C , SALOMON-FERRER, R , WALKER, RC , GILSON, MK , KURTZMAN, T , (2016) SOLVATION THERMODYNAMIC MAPPING OF MOLECULAR SURFACES IN AMBERTOOLS: GIST.JOURNAL OF COMPUTATIONAL CHEMISTRY. VOL. 37. ISSUE 21. P. 2029 -2037 26 55% 1
5 ROSSATO, G , ERNST, B , VEDANI, A , SMIESKO, M , (2011) ACQUAALTA: A DIRECTIONAL APPROACH TO THE SOLVATION OF LIGAND-PROTEIN COMPLEXES.JOURNAL OF CHEMICAL INFORMATION AND MODELING. VOL. 51. ISSUE 8. P. 1867 -1881 30 49% 27
6 BODNARCHUK, MS , VINER, R , MICHEL, J , ESSEX, JW , (2014) STRATEGIES TO CALCULATE WATER BINDING FREE ENERGIES IN PROTEIN-LIGAND COMPLEXES.JOURNAL OF CHEMICAL INFORMATION AND MODELING. VOL. 54. ISSUE 6. P. 1623 -1633 27 50% 9
7 NGUYEN, CN , KURTZMAN, T , GILSON, MK , (2016) SPATIAL DECOMPOSITION OF TRANSLATIONAL WATER-WATER CORRELATION ENTROPY IN BINDING POCKETS.JOURNAL OF CHEMICAL THEORY AND COMPUTATION. VOL. 12. ISSUE 1. P. 414 -429 27 42% 2
8 ROBERTS, BC , MANCERA, RL , (2008) LIGAND-PROTEIN DOCKING WITH WATER MOLECULES.JOURNAL OF CHEMICAL INFORMATION AND MODELING. VOL. 48. ISSUE 2. P. 397 -408 37 36% 60
9 GARCIA-SOSA, AT , (2013) HYDRATION PROPERTIES OF LIGANDS AND DRUGS IN PROTEIN BINDING SITES: TIGHTLY-BOUND, BRIDGING WATER MOLECULES AND THEIR EFFECTS AND CONSEQUENCES ON MOLECULAR DESIGN STRATEGIES.JOURNAL OF CHEMICAL INFORMATION AND MODELING. VOL. 53. ISSUE 6. P. 1388 -1405 35 35% 15
10 NGUYEN, CN , CRUZ, A , GILSON, MK , KURTZMAN, T , (2014) THERMODYNAMICS OF WATER IN AN ENZYME ACTIVE SITE: GRID-BASED HYDRATION ANALYSIS OF COAGULATION FACTOR XA.JOURNAL OF CHEMICAL THEORY AND COMPUTATION. VOL. 10. ISSUE 7. P. 2769 -2780 24 44% 19

Classes with closest relation at Level 1


Rank Class id link
1 5802 THERMODYNAMIC INTEGRATION//FREE ENERGY CALCULATIONS//FREE ENERGY PERTURBATION
2 35395 DEHYDRON//ARGENTINE MATH IAM//ARGENTINO MATEMAT ALBERTO P CALDERON
3 25252 ISOTHERMAL TITRATION CALORIMETRY//ITC//CALORIMETRIC ENTHALPY
4 1353 JOURNAL OF CHEMICAL INFORMATION AND MODELING//VIRTUAL SCREENING//JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN
5 6131 HYDRATION WATER//DYNAMICAL TRANSITION//HYDRATED PROTEINS
6 34076 UNIVERSAL EXCHANGE LANGUAGE//MEDICAL INFERENCE//BIOINFORMATICS MESSAGING
7 6696 DIPARTIMENTO SCI BIOL AMBIENTALI//CONVERGENCE TEMPERATURES//WORK OF CAVITY CREATION
8 15175 STAPHYLOCOCCAL NUCLEASE//THERMODYNAMIC MOLECULAR SWITCH//T4 LYSOZYME
9 11825 FRAGMENT SCREENING//FRAGMENT BASED DRUG DISCOVERY//NMR SCREENING
10 4443 POISSON BOLTZMANN EQUATION//POISSON BOLTZMANN//CONTINUUM ELECTROSTATICS

Go to start page