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1 - 5 of 5 search results for b&b |u:www-wales.ch.cam.ac.uk

  1. Fully-matching results

  2. BLN Off-Lattice Protein Model

    https://www-wales.ch.cam.ac.uk/GMIN.doc/node11.html
    17 Jun 2024: comment: S. 12. > 0 and S. 6. < 0 for B-B, L-L and L-B, N-L and N-B and N-N 1.0D0 -1.0D0 0.33333333333333D0 ... i. , B. i. , C. i. and D. i. parameters apply to which parts of the structure.[#!BrownFH03!#].

  3. Keywords

    https://www-wales.ch.cam.ac.uk/OPTIM.doc/node4.html
    17 Jun 2024: BGUPTATBB ABB PBB QBB ZBB R0BB: Specifies the B-B interaction parameters. ... For example, the format of. BLNsequence. for protein L is: comment: LJREP_BLN >0 and LJATT_BLN <0 for B-B, L-L and L-B, N-L and N-B

  4. Calculating rate constants and committor probabilities for…

    https://www-wales.ch.cam.ac.uk/Telluride.papers/JCP.130.204111.2009.pdf
    23 Jun 2009: Hence, for agiven state a A, we obtain Pba. F for every b B, togetherwith a. ... For example,the MFPT to the B region for state satisfiesTB = PTB, with TBb = 0 for all b B.

  5. The data file

    https://www-wales.ch.cam.ac.uk/GMIN.doc/node7.html
    17 Jun 2024: BGUPTATBB ABB PBB QBB ZBB R0BB: Specifies the B-B interaction parameters. ... and then. make. b. If using GCC, a system BLAS needs to be used.

  6. comprinorgchem22-7-11b.dvi

    https://www-wales.ch.cam.ac.uk/Telluride.papers/comprinorgchem22-7-11b.pdf
    22 Jul 2011: Structure prediction in solid state chemistry as an approach to. rational synthesis planning. M. Jansen, J. C. Schön. Max-Planck-Institut für Festkörperforschung. Heisenbergstr. 1, D-70569 Stuttgart. July 22, 2011. Abstract. Traditionally,

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