(Q41909180)

English

What role do surfaces play in GB models? A new-generation of surface-generalized born model based on a novel gaussian surface for biomolecules

scientific article published on January 2006

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Statements

scholarly article

1 reference

Europe PubMed Central

PMC publication ID

13 October 2017

What role do surfaces play in GB models? A new-generation of surface-generalized born model based on a novel gaussian surface for biomolecules (English)

1 reference

Europe PubMed Central

PMC publication ID

13 October 2017

author name string

Zhiyun Yu

1

1 reference

Europe PubMed Central

PMC publication ID

13 October 2017

Matthew P Jacobson

2

1 reference

Europe PubMed Central

PMC publication ID

13 October 2017

Richard A Friesner

3

1 reference

Europe PubMed Central

PMC publication ID

13 October 2017

publication date

1 January 2006

1 reference

Europe PubMed Central

PMC publication ID

13 October 2017

Journal of Computational Chemistry

1 reference

Europe PubMed Central

PMC publication ID

13 October 2017

27

1 reference

Europe PubMed Central

PMC publication ID

13 October 2017

1

1 reference

Europe PubMed Central

PMC publication ID

13 October 2017

72-89

1 reference

Europe PubMed Central

PMC publication ID

13 October 2017

A hierarchical approach to all-atom protein loop prediction

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2743414

5 June 2018

Computational modeling of the catalytic reaction in triosephosphate isomerase.

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2743414

5 June 2018

Complete protein structure determination using backbone residual dipolar couplings and sidechain rotamer prediction.

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2743414

5 June 2018

Gaussian docking functions

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2743414

5 June 2018

Effective Born radii in the generalized Born approximation: the importance of being perfect

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2743414

5 June 2018

Rapid grid-based construction of the molecular surface and the use of induced surface charge to calculate reaction field energies: applications to the molecular systems and geometric objects

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2743414

5 June 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=2743414

5 June 2018

The molecular surface package

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2743414

5 June 2018

Classical electrostatics in biology and chemistry

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2743414

5 June 2018

The interpretation of protein structures: Estimation of static accessibility

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2743414

5 June 2018

A new method for computing the macromolecular electric potential.

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2743414

5 June 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=2743414

5 June 2018

Macromolecular shape and surface maps by solvent exclusion

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2743414

5 June 2018

High-resolution prediction of protein helix positions and orientations

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2743414

18 August 2018

Generalized born model with a simple smoothing function.

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2743414

18 August 2018

Analytically defined surfaces to analyze molecular interaction properties.

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2743414

18 August 2018

Shape analysis of molecular surfaces

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2743414

18 August 2018

Electronic Wave Functions. I. A General Method of Calculation for the Stationary States of Any Molecular System

1 reference

https://api.crossref.org/works/10.1002%2FJCC.20307

21 January 2018

Roles of Conformational and Positional Adaptability in Structure-Based Design of TMC125-R165335 (Etravirine) and Related Non-nucleoside Reverse Transcriptase Inhibitors That Are Highly Potent and Effective against Wild-Type and Drug-Resistant HIV-1 V

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2743414

2 December 2018

Calculation of the electric potential in the active site cleft due to alpha-helix dipoles

1 reference

https://pubmed.ncbi.nlm.nih.gov/16261581

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

On the Role of the Crystal Environment in Determining Protein Side-chain Conformations

1 reference

https://pubmed.ncbi.nlm.nih.gov/16261581

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Identifiers

10.1002/JCC.20307

1 reference

Europe PubMed Central

PMC publication ID

13 October 2017

DBLP publication ID

journals/jcc/YuJF06

1 reference

DBLP Dataset 2021-01-02

28 January 2021

PMC publication ID

1 reference

Europe PubMed Central

PMC publication ID

13 October 2017

PubMed publication ID

1 reference

Europe PubMed Central

PMC publication ID

13 October 2017

ResearchGate publication ID

0 references

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