Class information for:
Level 1: GENERALIZED ENSEMBLE ALGORITHM//REPLICA EXCHANGE METHOD//MULTICANONICAL MOLECULAR DYNAMICS

Basic class information
Class id #P Avg. number of
references		 Database coverage
of references
8058 1299 35.8 79%


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
8058 1                   GENERALIZED ENSEMBLE ALGORITHM//REPLICA EXCHANGE METHOD//MULTICANONICAL MOLECULAR DYNAMICS 1299

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 GENERALIZED ENSEMBLE ALGORITHM authKW 331109 1% 78% 18
2 REPLICA EXCHANGE METHOD authKW 310836 2% 58% 23
3 MULTICANONICAL MOLECULAR DYNAMICS authKW 225645 1% 80% 12
4 GENERALIZED ENSEMBLE authKW 220680 1% 72% 13
5 MULTICANONICAL SIMULATION authKW 218776 1% 85% 11
6 MULTICANONICAL authKW 199096 1% 71% 12
7 GENERALIZED ENSEMBLE SIMULATIONS authKW 167146 1% 89% 8
8 SIMULATED TEMPERING authKW 165663 1% 41% 17
9 MULTICANONICAL ALGORITHM authKW 156695 1% 67% 10
10 WANG LANDAU SAMPLING authKW 153552 1% 47% 14

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 Physics, Mathematical 9808 25% 0% 319
2 Physics, Atomic, Molecular & Chemical 8838 33% 0% 427
3 Chemistry, Physical 4201 39% 0% 502
4 Physics, Fluids & Plasmas 3162 12% 0% 162
5 Computer Science, Interdisciplinary Applications 1690 10% 0% 133
6 Physics, Multidisciplinary 1005 14% 0% 184
7 Biophysics 127 5% 0% 61
8 Chemistry, Multidisciplinary 55 7% 0% 97
9 Mathematical & Computational Biology 11 1% 0% 11
10 Biochemistry & Molecular Biology 3 7% 0% 87

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 THEORET SCI NTZ 122808 1% 29% 18
2 FUNCT MOL SCI 121536 3% 13% 39
3 SOFT MATTER SYST GRP 118987 1% 56% 9
4 THEORET STUDIES 84416 5% 6% 59
5 SIMULAT PHYS 82305 3% 9% 39
6 ADV SIMULAT IAS 2 75215 0% 80% 4
7 JOHN VON NEUMAN COMP 70516 0% 100% 3
8 PROT INFORMAT 61841 1% 26% 10
9 FESTKORPERFOR IFF 2 52885 0% 75% 3
10 JOHN VON NEUMANN COMP 52198 2% 11% 20

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 THEORY AND COMPUTATION 24309 5% 2% 69
2 JOURNAL OF COMPUTATIONAL CHEMISTRY 16157 5% 1% 65
3 COMPUTER PHYSICS COMMUNICATIONS 15019 5% 1% 69
4 JOURNAL OF CHEMICAL PHYSICS 14481 18% 0% 231
5 INTERNATIONAL JOURNAL OF MODERN PHYSICS C 13268 3% 1% 41
6 PHYSICAL REVIEW E 11372 12% 0% 161
7 MOLECULAR SIMULATION 7479 2% 1% 29
8 INTERNATIONAL JOURNAL OF MODERN PHYSICS C-PHYSICS AND COMPUTERS 2289 0% 5% 2
9 BRAZILIAN JOURNAL OF PHYSICS 2142 1% 1% 15
10 JOURNAL OF PHYSICAL CHEMISTRY B 1774 4% 0% 55

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 GENERALIZED ENSEMBLE ALGORITHM 331109 1% 78% 18 Search GENERALIZED+ENSEMBLE+ALGORITHM Search GENERALIZED+ENSEMBLE+ALGORITHM
2 REPLICA EXCHANGE METHOD 310836 2% 58% 23 Search REPLICA+EXCHANGE+METHOD Search REPLICA+EXCHANGE+METHOD
3 MULTICANONICAL MOLECULAR DYNAMICS 225645 1% 80% 12 Search MULTICANONICAL+MOLECULAR+DYNAMICS Search MULTICANONICAL+MOLECULAR+DYNAMICS
4 GENERALIZED ENSEMBLE 220680 1% 72% 13 Search GENERALIZED+ENSEMBLE Search GENERALIZED+ENSEMBLE
5 MULTICANONICAL SIMULATION 218776 1% 85% 11 Search MULTICANONICAL+SIMULATION Search MULTICANONICAL+SIMULATION
6 MULTICANONICAL 199096 1% 71% 12 Search MULTICANONICAL Search MULTICANONICAL
7 GENERALIZED ENSEMBLE SIMULATIONS 167146 1% 89% 8 Search GENERALIZED+ENSEMBLE+SIMULATIONS Search GENERALIZED+ENSEMBLE+SIMULATIONS
8 SIMULATED TEMPERING 165663 1% 41% 17 Search SIMULATED+TEMPERING Search SIMULATED+TEMPERING
9 MULTICANONICAL ALGORITHM 156695 1% 67% 10 Search MULTICANONICAL+ALGORITHM Search MULTICANONICAL+ALGORITHM
10 WANG LANDAU SAMPLING 153552 1% 47% 14 Search WANG+LANDAU+SAMPLING Search WANG+LANDAU+SAMPLING

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 OKAMOTO, Y , (2004) GENERALIZED-ENSEMBLE ALGORITHMS: ENHANCED SAMPLING TECHNIQUES FOR MONTE CARLO AND MOLECULAR DYNAMICS SIMULATIONS.JOURNAL OF MOLECULAR GRAPHICS & MODELLING. VOL. 22. ISSUE 5. P. 425 -439 76 71% 164
2 SUGITA, Y , OKAMOTO, Y , MITSUTAKE, A , (2001) GENERALIZED-ENSEMBLE ALGORITHMS FOR MOLECULAR SIMULATIONS OF BIOPOLYMERS.BIOPOLYMERS. VOL. 60. ISSUE 2. P. 96 -123 67 56% 477
3 PAUL, W , JANKE, W , (2016) THERMODYNAMICS AND STRUCTURE OF MACROMOLECULES FROM FLAT-HISTOGRAM MONTE CARLO SIMULATIONS.SOFT MATTER. VOL. 12. ISSUE 3. P. 642 -657 65 53% 2
4 KIM, J , STRAUB, JE , (2010) GENERALIZED SIMULATED TEMPERING FOR EXPLORING STRONG PHASE TRANSITIONS.JOURNAL OF CHEMICAL PHYSICS. VOL. 133. ISSUE 15. P. - 55 75% 13
5 MITSUTAKE, A , OKAMOTO, Y , (2009) MULTIDIMENSIONAL GENERALIZED-ENSEMBLE ALGORITHMS FOR COMPLEX SYSTEMS.JOURNAL OF CHEMICAL PHYSICS. VOL. 130. ISSUE 21. P. - 56 72% 24
6 XIA, JC , FLYNN, WF , GALLICCHIO, E , ZHANG, BW , HE, P , TAN, ZQ , LEVY, RM , (2015) LARGE-SCALE ASYNCHRONOUS AND DISTRIBUTED MULTIDIMENSIONAL REPLICA EXCHANGE MOLECULAR SIMULATIONS AND EFFICIENCY ANALYSIS.JOURNAL OF COMPUTATIONAL CHEMISTRY. VOL. 36. ISSUE 23. P. 1772 -1785 58 57% 3
7 WU, XW , HODOSCEK, M , BROOKS, BR , (2012) REPLICA EXCHANGING SELF-GUIDED LANGEVIN DYNAMICS FOR EFFICIENT AND ACCURATE CONFORMATIONAL SAMPLING.JOURNAL OF CHEMICAL PHYSICS. VOL. 137. ISSUE 4. P. - 53 69% 3
8 OKUMURA, H , ITOH, SG , (2013) TRANSFORMATION OF A DESIGN PEPTIDE BETWEEN THE ALPHA-HELIX AND BETA-HAIRPIN STRUCTURES USING A HELIX-STRAND REPLICA-EXCHANGE MOLECULAR DYNAMICS SIMULATION.PHYSICAL CHEMISTRY CHEMICAL PHYSICS. VOL. 15. ISSUE 33. P. 13852 -13861 45 76% 2
9 MITSUTAKE, A , (2009) SIMULATED-TEMPERING REPLICA-EXCHANGE METHOD FOR THE MULTIDIMENSIONAL VERSION.JOURNAL OF CHEMICAL PHYSICS. VOL. 131. ISSUE 9. P. - 42 86% 19
10 KIM, J , KEYES, T , STRAUB, JE , (2010) GENERALIZED REPLICA EXCHANGE METHOD.JOURNAL OF CHEMICAL PHYSICS. VOL. 132. ISSUE 22. P. - 44 73% 40

Classes with closest relation at Level 1


Rank Class id link
1 25281 HP MODEL//AB OFF LATTICE MODEL//PROTEIN FOLDING PROBLEM
2 6749 MARKOV STATE MODEL//ENHANCED SAMPLING//TRANSITION PATH SAMPLING
3 13680 BETA HAIRPIN//TRP CAGE//SIDE CHAIN INTERACTIONS
4 31292 CLASSICAL SOLIDS//CNRS CEA SNECMA PROPULS SOLIDE//CONCENTRATION EQUATION FOR POLYVACANCY
5 5802 THERMODYNAMIC INTEGRATION//FREE ENERGY CALCULATIONS//FREE ENERGY PERTURBATION
6 16087 CONFORMATIONAL SPACE SEARCH//CONFORMATIONAL SEARCH//NAKA WORKS
7 573 PROTEIN FOLDING//PHI VALUE//FOLDING RATE
8 7436 ALPHA HELIX//ALPHA HELIX STABILITY//N CAP
9 4935 ISING MODEL//CLUSTER ALGORITHM//DAMAGE SPREADING
10 18760 PROTEIN LIKE COPOLYMERS//THEORY COMPUTAT GRP//COIL GLOBULE TRANSITION

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