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13 Jan 2011: Our landscape and path complexity. measures are quite general, irrespective of the kinds of energy[i.e., potential or free energy (9, 24)] and model. ... Wales DJ, Dewsbury PEJ (2004) J Chem Phys 121:10284.24. Evans DA, Wales DJ (2003) J Chem Phys

13 Jan 2011: Name Length E Sequence. HP-20 20 )9 HPHP2H2PHP2HPH2P2HPHHP-24 24 )9 H2P2ðHP2Þ6H2HP-25 25 )8 P2HP2ðH2P4Þ3H2HP-36 36 )14 P3H2P2H2P5H7P2H2P4H2P2HP2HP-48 48 )23 P2HðP2H2Þ2P5H10P6ðH2P2Þ2HP2H5HP-50 50 )21 H2ðPHÞ3PH4PðHP3Þ3PðHP3Þ2HPH4ðPHÞ4H.

14 Jan 2011: Since high temperatures are equivalent to weakbonding interactions, this finding is consistent with the ex-perimental observation that protein-protein interactions in vi-rus capsids are generally weak.24. ... M. Teschke, J. Mol. Biol. 365,513 2007. 24 A.

13 Jan 2011: This model isclosely related to the “void model” for structural changes andmelting of clusters.24. ... A.; Wales, D. J.J. Chem. Phys.2004, 121, 6689.(24) Berry, R. S.; Smirnov, B.

4 Jan 2011: 0892 0.04568 18.0000320936 4 0.0448 0.02298 18.0000240710 12 0.0145 0.00748 18.0000240710 4 0.0426 0.02188 18.0000000700 24 0.0140 0.00718 ... C. A. M. Mooij, D. Frenkel, H. N. W. Lekker-. kerker, Nature 1993, 365, 425.[24] A.

13 Jan 2011: Name Sequence EGM DGM. HP-20 HPHPPHHPHPPHPHHPPHPH 9 2HP-20a HPHHPPHPHPPHPHPHPHPH 8 17HP-24 HHPPHPP6HH 9 19HP-25 PPHPPH2P43HH 8 16HP-36 P3H2P2H2P5H7P2H2P4H2P2HP2 14 192HP-48 P2HP2H22P5H10P6H2P22HP2H5 23 285HP-50 H2PH3PH4PHP33PHP32HPH4PH4H ... 24

14 Jan 2011: 24,57. In the model, the repulsion between particles i and j isbased upon an isotropic Lennard-Jones potential. ... C. Rapaport, Phys. Rev. Lett., 2008, 101, 186101.24 A. W. Wilber, J.

4 Jan 2011: Address correspondence todw34@cam.ac.uk. Received for review October 4, 2009and accepted December 24, 2009. ... 24. Wales, D. J. Discrete Path Sampling. Mol. Phys. 2002, 100,3285–3306.

13 Jul 2011: performing a complete cycle of a thermodynamic enginesuch as the Carnot- [24] or the Otto-engine [25]. ... KGaA, Weinheim www.zaac.wiley-vch.de 1795. number of thermodynamic processes have been analyzed, e.g.Carnot-cycles [24, 29, 30], Diesel-cycles [31],

26 Feb 2018: [Image 24 of 84. [reduced]. (104k). [large]. (343k). [original]. (898k).

22 Nov 2019: TPSSh 9 0.36 0.57 2 12 5.26 0.00 1B3LYP 5 0.36 0.00 1 9 15.59 0.00 1PBE0 7 0.28 0.24 2 ... J. Mol. Model. 2018,24, 196.(24) Raghavachari, K.; Trucks, G. W.; Pople, J.

7 Mar 2011: 99.1 240 43.4 283 26.7 0.017 0.17 24.29.2 253 55.5 308 30.4 0.0011 0.23 27.110.3 256 48.4 ... Biophys.J. 86:2923–2928. 24. Reference deleted in proof. 25. Olichon, A., L.

13 Jan 2011: 4.046 4.050F-FCC 200 5.000 24.15 1.531 1.602 H-F 270 3.704 767.4 4.579 4.518F-BCC 125 8.000 44.75 ... 24 D. Frenkel and A. J. C. Ladd, J. Chem. Phys.

14 Jan 2011: Zukoski, J. Chem. Phys., 2002, 117, 8540.24 X. Song, Phys. Rev.

14 Jan 2011: The stability of a crystal with diamond structure for patchy particleswith tetrahedral symmetry. Eva G. Noya,1,a Carlos Vega,2 Jonathan P. K. Doye,3 and Ard A. Louis41Instituto de Química Física Rocasolano, Consejo Superior de Investigaciones

23 Jun 2009: choose pairs of local minima for subsequent connec-tion attempts within the DPS framework,24,25 identifyingstructures separated by the largest barriers, or correspondingto short minimized distances but lacking a direct ... M. Carr and D. J. Wales, J. Chem

13 Jul 2011: glasses J. Magn. Magn. Mater. 272–276 1284–5[24] Derrida B 1981 Random-energy model: an exactly solvable model of disordered systems Phys. ... Rev. B 24 2613–26[25] Sibani P and Schriver P 1994 Local phase-space structure and low-temperature

26 Feb 2018: [Image 24 of 84. [reduced]. (104k). [large]. (343k). [original]. (898k).

4 Jan 2011: 24) Lal, R.; Lin, H.; Quist, A. Biochimi. Biophys. Acta 2007, 1768, 1966–1975. ... Y. C. Proteins: Struct., Funct., Bioinf. 2008, 72, 1–24. (49) Monette, M.; Lafleur, M.

4 Jan 2011: folding temperature to the glass transition temperature [23,24]. The resulting database contained 212054 minima and 206923. ... protein folding. Proc Natl Acad Sci USA 84: 7524. 24. Goldstein RA, Luthey-Schulten ZA, Wolynes PG (1992) Optimal

Index of /examples/PATHSAMPLE/peptide-energy-landscape-exploration-main/11optimise_data_params/opfiles. 2023-05-18 16:07. 561. 2023-05-18 16:07. 4.0K. 2023-05-18 16:07. 4.0K. 2023-05-18 16:07. 4.0K. 2023-05-18 16:07. 4.0K. 2023-05-18 16:07. 4.0K.

13 Jul 2011: Thedifference in initial pressures between the smallest and thebiggest values of we have considered, = 1 and 105 s, isaround 0.24 atm with a difference in total excess work. ... J =dN. dt= bcNs. 0Nc , 24. where Nt is the number of nuclei formed in the

26 Feb 2018: [Image 24 of 139. [reduced]. (83k). [large]. (290k). [original]. (887k).

2013-03-01 10:24. 1.9K. ... 2013-03-01 10:24. 2.6K.

18 Jun 2022: value=".00000000000000000E000"/ e0 Z="24" value=".00000000000000000E000"/ e0 Z="25" value=".00000000000000000E000"/ e0 Z="26" value=".00000000000000000E000"/ e0 Z="27" value=".00000000000000000E000"/ e0 Z="28" value=".00000000000000000E000"/ e0 Z="29

4 Jan 2011: S. Berry, J. Phys. B 24, L351 1991. 10 B. Eckhardt and D. ... Many-Particle Lyapunov Vectors 2004 http://arxiv.org/abs/nlin/0404028. 24 H. Abarbanel, R. Brown, and M.

13 Jan 2011: bPV ln. QGmVT expðbAl0;n0Þ2. (24). Acknowledgements. This work was supported by the ERC (Advanced Grant agree-. ... 13 N. Geerts, T. Schmatko and E. Eiser, Langmuir, 2008, 24(9), 5118–5123.

13 Jul 2011: W20. 09C. arlH. anse. rV. erla. g,M. unic. h,G. erm. any. ww. w.ij. mr. deN. otfo. rus. ein. inte. rnet. orin. tran. etsi. tes. Not. for. elec. tron. icdi. strib. utio. n. J. C. Schön, M. JansenMax-Planck-Institut für Festkörperforschung,

4 Jan 2011: matrix can be replaced with similar matrices, such as correlation or sums-of-squares-cross-products (SSCP),24 depending on the application.

14 Jun 2006: This breakdown can be achieved by defining the ‘catchmentbasin’ [23, 24], or ‘basin of attraction’, for each local minimum as the region ofconfiguration space for which steepest-descent paths converge to

27 Jul 2011: Davis and Gray [24] first showed that in Hamiltonian systems with twodof, the transition state defined as the separatrix in the phase space is alwaysfree from barrier recrossings, so the transmission ... p. (p, q). cp2s1qt (2.24). q. (p, q). cp2sqt (2.25)

22 Jul 2011: 21, 22, 23, 24, 25, 26, 27, 28, 29, 30] for more information on structure prediction for the other.

27 Jul 2011: Chaotic dynamics in small inert gas clusters: The influence of potential energy saddles. Robert J. Hindea) and FL Stephen Berry D e p a r t m e n t of Chemistry a n d the J a m e s Franck Institute, T h e University of Chicago, 5 7 3 5 S o u t h

3 Jul 2022: GAP_2021_4_21_0_21_17_24_635 Potential label="GAP_2021_4_21_0_21_17_24_635" init_args="Sum init_args_pot1={IP Glue} ... IP GAP label=GAP_2021_4_21_0_21_17_24_635}"/ quip Glue_params n_types="1" per_type_data atomic_num="6" type="1"! --