Electron density in the peptide bonds of crambin (Q58929099)

1

0 references

J. Junquera

2

0 references

C. Jelsch

3

0 references

C. Lecomte

4

0 references

E. Artacho

Solid State Communications

5

0 references

publication date

October 2000

0 references

published in

0 references

volume

116

0 references

issue

7

0 references

page(s)

395-400

0 references

cites work

Orbital steering in the catalytic power of enzymes: small structural changes with large catalytic consequences

1 reference

https://api.crossref.org/works/10.1016%2FS0038-1098%2800%2900334-3

7 January 2021

Towards the charge-density study of proteins: a room-temperature scorpion-toxin structure at 0.96 A resolution as a first test case.

1 reference

https://api.crossref.org/works/10.1016%2FS0038-1098%2800%2900334-3

7 January 2021

Transferability of multipole charge-density parameters: application to very high resolution oligopeptide and protein structures.

1 reference

https://api.crossref.org/works/10.1016%2FS0038-1098%2800%2900334-3

7 January 2021

Refinement of purothionins reveals solute particles important for lattice formation and toxicity. Part 2: structure of beta-purothionin at 1.7 A resolution

1 reference

https://api.crossref.org/works/10.1016%2FS0038-1098%2800%2900334-3

7 January 2021

Full-matrix refinement of the protein crambin at 0.83 A and 130 K.

1 reference

https://api.crossref.org/works/10.1016%2FS0038-1098%2800%2900334-3

7 January 2021

Crystal structure of Ser-22/Ile-25 form crambin confirms solvent, side chain substate correlations

1 reference

https://api.crossref.org/works/10.1016%2FS0038-1098%2800%2900334-3

7 January 2021

Accurate protein crystallography at ultra-high resolution: valence electron distribution in crambin

1 reference

https://api.crossref.org/works/10.1016%2FS0038-1098%2800%2900334-3

7 January 2021

Self-consistent order-N density-functional calculations for very large systems

1 reference

https://api.crossref.org/works/10.1016%2FS0038-1098%2800%2900334-3

7 January 2021

Density-functional method for very large systems with LCAO basis sets

1 reference

https://api.crossref.org/works/10.1016%2FS0038-1098%2800%2900334-3

7 January 2021

Linear-Scaling ab-initio Calculations for Large and Complex Systems

1 reference

https://api.crossref.org/works/10.1016%2FS0038-1098%2800%2900334-3

7 January 2021

Ab Initio Geometry Determinations of Proteins. 1. Crambin

1 reference

https://api.crossref.org/works/10.1016%2FS0038-1098%2800%2900334-3

7 January 2021

Generalized Gradient Approximation Made Simple

1 reference

https://api.crossref.org/works/10.1016%2FS0038-1098%2800%2900334-3

7 January 2021

Self-Consistent Equations Including Exchange and Correlation Effects

1 reference

https://api.crossref.org/works/10.1016%2FS0038-1098%2800%2900334-3

7 January 2021

Efficient pseudopotentials for plane-wave calculations

1 reference

https://api.crossref.org/works/10.1016%2FS0038-1098%2800%2900334-3

7 January 2021

Ab initio multicenter tight-binding model for molecular-dynamics simulations and other applications in covalent systems

1 reference

https://api.crossref.org/works/10.1016%2FS0038-1098%2800%2900334-3

7 January 2021

Analysis of atomic orbital basis sets from the projection of plane-wave results

1 reference

https://api.crossref.org/works/10.1016%2FS0038-1098%2800%2900334-3

7 January 2021

Testing aspherical atom refinements on small-molecule data sets

1 reference

https://api.crossref.org/works/10.1016%2FS0038-1098%2800%2900334-3

7 January 2021

Experimental Observation of Bonding Electrons in Proteins

1 reference

https://api.crossref.org/works/10.1016%2FS0038-1098%2800%2900334-3

7 January 2021

Self-interaction correction to density-functional approximations for many-electron systems

1 reference

https://api.crossref.org/works/10.1016%2FS0038-1098%2800%2900334-3

7 January 2021