(Q40023087)

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:24773380%20AND%20SRC:MED&resulttype=core&format=json

16 March 2020

title

Heteroaromatic π-stacking energy landscapes (English)

1 reference

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16 March 2020

1 reference

6

1 reference

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16 March 2020

Christofer S. Tautermann

5

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:24773380%20AND%20SRC:MED&resulttype=core&format=json

16 March 2020

Susanne von Grafenstein

4

object named as

Susanne von Grafenstein

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:24773380%20AND%20SRC:MED&resulttype=core&format=json

16 March 2020

2

Michael A Margreiter

1 reference

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16 March 2020

author name string

Roland G Huber

1

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:24773380%20AND%20SRC:MED&resulttype=core&format=json

16 March 2020

Julian E Fuchs

3

1 reference

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16 March 2020

Thomas Fox

7

1 reference

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16 March 2020

publication date

9 May 2014

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:24773380%20AND%20SRC:MED&resulttype=core&format=json

Journal of Chemical Information and Modeling

16 March 2020

published in

1 reference

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16 March 2020

volume

54

1 reference

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16 March 2020

issue

5

1 reference

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16 March 2020

page(s)

1371-1379

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:24773380%20AND%20SRC:MED&resulttype=core&format=json

First-Principles Modeling of Non-Covalent Interactions in Supramolecular Systems: The Role of Many-Body Effects

16 March 2020

cites work

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4037317

Benchmarking of London Dispersion-Accounting Density Functional Theory Methods on Very Large Molecular Complexes

22 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4037317

Seamless and Accurate Modeling of Organic Molecular Materials

22 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4037317

Efficient stacking on protein amide fragments

22 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4037317

Collective many-body van der Waals interactions in molecular systems

22 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4037317

Factors Contributing to Aromatic Stacking in Water: Evaluation in the Context of DNA.

22 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4037317

A medicinal chemist's guide to molecular interactions

22 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4037317

Binding mechanisms in supramolecular complexes

22 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4037317

Long-range corrected hybrid density functionals with damped atom-atom dispersion corrections

22 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4037317

Factor Xa: at the crossroads between coagulation and signaling in physiology and disease

22 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4037317

Design and Synthesis of HIV-1 Protease Inhibitors Incorporating Oxazolidinones as P2/P2‘ Ligands in Pseudosymmetric Dipeptide Isosteres

22 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4037317

X-Ray Crystal Structures of Human Immunodeficiency Virus Type 1 Protease Mutants Complexed with Atazanavir

22 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4037317

Quest for the rings. In silico exploration of ring universe to identify novel bioactive heteroaromatic scaffolds

22 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4037317

Base-stacking and base-pairing contributions into thermal stability of the DNA double helix

22 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4037317

Accurate description of van der Waals complexes by density functional theory including empirical corrections

22 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4037317

Interactions with aromatic rings in chemical and biological recognition

22 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4037317

Relibase: design and development of a database for comprehensive analysis of protein-ligand interactions

22 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4037317

Property distributions: differences between drugs, natural products, and molecules from combinatorial chemistry

22 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4037317

Estimates of the ab initio limit for pi-pi interactions: the benzene dimer

22 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4037317

The Cationminus signpi Interaction

22 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4037317

22 September 2017

The Protein Data Bank

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4037317

Cation-pi interactions in structural biology

22 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4037317

Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density

22 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4037317

pi-Stacking interactions. Alive and well in proteins

22 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4037317

Cation-pi interactions in chemistry and biology: a new view of benzene, Phe, Tyr, and Trp

22 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4037317

Aromatic-aromatic interaction: a mechanism of protein structure stabilization

22 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4037317

Extracting hydrophobic free energies from experimental data: relationship to protein folding and theoretical models

22 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4037317

Dispersion dominated halogen-π interactions: energies and locations of minima.

22 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4037317

Molecular orbital theory of the electronic structure of organic compounds. I. Substituent effects and dipole moments.

17 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4037317

Energy component analysis of π interactions.

20 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4037317

A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu

20 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4037317

Structure-activity relationships of substituted benzothiophene-anthranilamide factor Xa inhibitors

20 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4037317

Van der Waals Density Functional for General Geometries

20 August 2018

1 reference

12 December 2020

van der Waals interactions in density-functional theory

1 reference

12 December 2020

A density-functional model of the dispersion interaction

1 reference

12 December 2020

Noncovalent Interactions: A Challenge for Experiment and Theory

1 reference

12 December 2020

Identifiers

DOI

10.1021/CI500183U

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:24773380%20AND%20SRC:MED&resulttype=core&format=json

journals/jcisd/HuberMFGTLF14

16 March 2020

DBLP publication ID

1 reference

DBLP Dataset 2021-01-02

28 January 2021

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:24773380%20AND%20SRC:MED&resulttype=core&format=json

16 March 2020

PubMed publication ID

24773380

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:24773380%20AND%20SRC:MED&resulttype=core&format=json