(Q39478133)

12 September 2017

title

Efficient stacking on protein amide fragments (English)

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12 September 2017

3

François Diederich

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12 September 2017

2

Bernd Kuhn

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12 September 2017

Michael Harder

1

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12 September 2017

publication date

25 January 2013

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12 September 2017

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12 September 2017

volume

8

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12 September 2017

issue

3

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12 September 2017

page(s)

397-404

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Interactions with aromatic rings in chemical and biological recognition

12 September 2017

cites work

1 reference

https://api.crossref.org/works/10.1002%2FCMDC.201200512

A medicinal chemist's guide to molecular interactions

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Aromatic rings in chemical and biological recognition: energetics and structures

21 January 2018

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An assessment of theoretical methods for nonbonded interactions: comparison to complete basis set limit coupled-cluster potential energy curves for the benzene dimer, the methane dimer, benzene-methane, and benzene-H2S.

21 January 2018

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https://api.crossref.org/works/10.1002%2FCMDC.201200512

pi-Stacking interactions. Alive and well in proteins

21 January 2018

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Theoretical study on the complexes of benzene with isoelectronic nitrogen-containing heterocycles

21 January 2018

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Effects of heteroatoms on aromatic pi-pi interactions: benzene-pyridine and pyridine dimer

21 January 2018

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https://api.crossref.org/works/10.1002%2FCMDC.201200512

Intramolecular amide stacking and its competition with hydrogen bonding in a small foldamer.

21 January 2018

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https://api.crossref.org/works/10.1002%2FCMDC.201200512

Competition between amide stacking and intramolecular H bonds in γ-peptide derivatives: controlling nearest-neighbor preferences

21 January 2018

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https://api.crossref.org/works/10.1002%2FCMDC.201200512

Model of peptide bond-aromatic ring interaction: correlated ab initio quantum chemical study.

21 January 2018

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https://api.crossref.org/works/10.1002%2FCMDC.201200512

The environment of amide groups in protein-ligand complexes: H-bonds and beyond

21 January 2018

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https://api.crossref.org/works/10.1002%2FCMDC.201200512

Systematic investigation of halogen bonding in protein-ligand interactions

21 January 2018

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Use of structure-based design to discover a potent, selective, in vivo active phosphodiesterase 10A inhibitor lead series for the treatment of schizophrenia

21 January 2018

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Molecular recognition at the active site of factor Xa: cation-π interactions, stacking on planar peptide surfaces, and replacement of structural water

21 January 2018

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Substituent effects in pi-pi interactions: sandwich and T-shaped configurations.

21 January 2018

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Understanding of assembly phenomena by aromatic-aromatic interactions: benzene dimer and the substituted systems

21 January 2018

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Optimal π-Stacking Interaction Energies in Parallel-Displaced Aryl/Aryl Dimers are Predicted by the Dimer Heavy Atom Count

21 January 2018

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Substituent effects in the benzene dimer are due to direct interactions of the substituents with the unsubstituted benzene

21 January 2018

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Anwendung und Grenzen kristallographischer Daten im strukturbezogenen Liganden- und Wirkstoff-Design

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FCMDC.201200512

Application and limitations of X-ray crystallographic data in structure-based ligand and drug design

21 January 2018

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MAB, a generally applicable molecular force field for structure modelling in medicinal chemistry.

21 January 2018

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https://api.crossref.org/works/10.1002%2FCMDC.201200512

The calculation of small molecular interactions by the differences of separate total energies. Some procedures with reduced errors

21 January 2018

1 reference

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New software for searching the Cambridge Structural Database and visualizing crystal structures

21 January 2018

2 references

https://api.crossref.org/works/10.1002%2FCMDC.201200512

21 January 2018

https://api.crossref.org/works/10.1002%2FCMDC.201200512

inferred from DOI database lookup

7 January 2021

based on heuristic

The accuracy of molecular dipole moments in standard electronic structure calculations

1 reference

https://api.crossref.org/works/10.1002%2FCMDC.201200512

inferred from DOI database lookup

7 January 2021

based on heuristic

Identifiers

DOI

10.1002/CMDC.201200512

1 reference

release_6tsqpj5vsjhrhfd7tti2faniou

12 September 2017

Fatcat ID

0 references

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