(Q34731466)

English

New ultrahigh affinity host-guest complexes of cucurbit[7]uril with bicyclo[2.2.2]octane and adamantane guests: thermodynamic analysis and evaluation of M2 affinity calculations

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scholarly article

1 reference

Europe PubMed Central

4 August 2017

New ultrahigh affinity host-guest complexes of cucurbit[7]uril with bicyclo[2.2.2]octane and adamantane guests: thermodynamic analysis and evaluation of M2 affinity calculations (English)

1 reference

Europe PubMed Central

4 August 2017

5

object named as

Kimoon Kim

1 reference

Europe PubMed Central

4 August 2017

author name string

Sarvin Moghaddam

1

1 reference

Europe PubMed Central

4 August 2017

Cheng Yang

2

1 reference

Europe PubMed Central

4 August 2017

Mikhail Rekharsky

3

1 reference

Europe PubMed Central

4 August 2017

Young Ho Ko

4

1 reference

Europe PubMed Central

4 August 2017

Yoshihisa Inoue

6

1 reference

Europe PubMed Central

4 August 2017

Michael K Gilson

7

1 reference

Europe PubMed Central

4 August 2017

language of work or name

0 references

publication date

22 February 2011

1 reference

Europe PubMed Central

4 August 2017

Journal of the American Chemical Society

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Europe PubMed Central

4 August 2017

133

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Europe PubMed Central

4 August 2017

10

1 reference

Europe PubMed Central

4 August 2017

3570-3581

1 reference

Europe PubMed Central

4 August 2017

All-atom empirical potential for molecular modeling and dynamics studies of proteins

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3065999

7 July 2018

Modeling Protein-Ligand Binding by Mining Minima

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3065999

7 July 2018

Host-guest complexes with protein-ligand-like affinities: computational analysis and design

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3065999

7 July 2018

A synthetic host-guest system achieves avidin-biotin affinity by overcoming enthalpy-entropy compensation

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3065999

7 July 2018

Ligand configurational entropy and protein binding

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3065999

7 July 2018

The cucurbit[n]uril family: prime components for self-sorting systems.

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3065999

7 July 2018

Calculation of cyclodextrin binding affinities: energy, entropy, and implications for drug design

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3065999

7 July 2018

Binding Affinities of Host–Guest, Protein–Ligand, and Protein–Transition‐State Complexes

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3065999

7 July 2018

VMD: visual molecular dynamics

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3065999

7 July 2018

Calculation of the total electrostatic energy of a macromolecular system: solvation energies, binding energies, and conformational analysis

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3065999

7 July 2018

Areas, volumes, packing and protein structure

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3065999

7 July 2018

Concepts in receptor optimization: targeting the RGD peptide.

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3065999

26 October 2018

Free energy, entropy, and induced fit in host-guest recognition: calculations with the second-generation mining minima algorithm

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3065999

26 October 2018

Identification of symmetries in molecules and complexes.

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3065999

26 October 2018

Fast assignment of accurate partial atomic charges: an electronegativity equalization method that accounts for alternate resonance forms.

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3065999

26 October 2018

Tork: Conformational analysis method for molecules and complexes

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3065999

26 October 2018

Enhanced docking with the mining minima optimizer: acceleration and side-chain flexibility

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3065999

26 October 2018

Ligand-receptor docking with the Mining Minima optimizer.

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3065999

26 October 2018

The inclusion of electrostatic hydration energies in molecular mechanics calculations

1 reference

https://pubmed.ncbi.nlm.nih.gov/21341773

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Complexation Thermodynamics of Cyclodextrins

1 reference

https://pubmed.ncbi.nlm.nih.gov/21341773

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Identifiers

10.1021/JA109904U

1 reference

Europe PubMed Central

4 August 2017

1 reference

Europe PubMed Central

4 August 2017

1 reference

Europe PubMed Central

4 August 2017

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