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1 al based on distance-scaled finite ideal-gas reference state).
2 itely dilute solution in n-hexadecane as the reference state.
3 eractions extracted from these decoys as the reference state.
4 5 cal/mol K (-TDeltaS= +9.7kcal/mol) at a 1M reference state.
5 lly explicit model to represent the unfolded reference state.
6 nol composition, and a helium vapor phase as reference state.
7 of favorable free energy of binding at a 1M reference state.
8 fact that proteins do not unfold to a simple reference state.
9 es can be misleading due to ambiguity of the reference state.
10 pproximations, including a definition of the reference state.
11 ic-network model representation near the two reference states.
12 the crystallized forms were subtracted using referenced states.
13 1) the measurement equation for genes in the reference state; (2) the measurement equation for genes
14 ese structural parameters was derived from a reference state, a covalent enzyme-substrate adduct wher
16 s, i.e., the difficulty to design a suitable reference state against which the working enzyme can be
18 ximately 1.5kcal/mol relative to that of the reference state, an A-form RNA but with cytosine (C7) lo
21 rtiary contact interactions relative to this reference state are consistent with a hinge-bending moti
22 ed enthalpy differences between well-defined reference states can be independently and consistently a
23 interaction potentials called Decoys as the Reference State (DARS) and incorporated DARS into the do
25 ent structures of the apo-CzrA and CzrA*CzrO reference states (DeltaH(c)(t) = 9.4 kcal mol(-1)) in a
28 ing point for protein folding as well as the reference state for protein stability studies and can be
30 e native disulfide-intact protein provided a reference state for the extent of expansion of intramole
31 thetized state of the leech was taken as the reference state for the model in which the active and pa
35 nergy, in which the total free energy of the reference state (i.e., gas phase) is the CHARMm potentia
36 esolvation mechanism is based on an improper reference state; (ii) a nonpolar active site cannot acco
37 States; we also show the robustness of these Reference States in adjusting to changes in environmenta
41 The DFIRE distance-scaled finite ideal gas reference state is employed for the distance-dependent c
42 imized atomic potentials (SOAP) in which the reference state is replaced with data-driven 'recovery'
44 stical energy functions is that the physical reference state of ideal gas used in the DFIRE-based ene
45 the GABAAreceptor, we needed to establish a reference state of the receptor to compare reaction rate
48 ring function to a better description of the reference state-that is, the state of no interactions.
49 n of this statistical potential, such as the reference state, the bin width, cutoff distances between
52 self has several new features, including its reference state, the random crystal structure, which rem
54 ch uses flux and gene expression data from a reference state to predict metabolic responses in a gene
55 est that the group-14 atoms bind in the (3)P reference state to the transition metal in a combination
57 esolve long-standing questions regarding the reference state used in RBC elasticity theory for determ
59 which considers relative flux changes from a reference state, we hypothesize a relative metabolic flu
60 aired linear duplex or three-arm junction as reference states, we can establish a thermodynamic cycle
61 and by comparing them to multiple planktonic reference states, we identify patterns of gene expressio
62 set of physiologically sensible baseline or Reference States; we also show the robustness of these R
63 rature was used to generate the straightened reference state, with the required topological relaxatio
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