(Q42120420)

16 October 2017

Development of polarizable models for molecular mechanical calculations I: parameterization of atomic polarizability (English)

1 reference

16 October 2017

Junmei Wang

1

0 references

Ray Luo

object named as

Ray Luo

5

0 references

Tingjun Hou

4

object named as

Tingjun Hou

1 reference

16 October 2017

Piotr Cieplak

2

1 reference

16 October 2017

Jie Li

3

1 reference

16 October 2017

Yong Duan

6

1 reference

16 October 2017

language of work or name

English

0 references

publication date

10 March 2011

1 reference

16 October 2017

9

1 reference

Journal of Physical Chemistry B

inferred from page(s)

published in

1 reference

16 October 2017

115

1 reference

16 October 2017

12

1 reference

16 October 2017

3091-3099

1 reference

Polarization effects in molecular mechanical force fields

16 October 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3082581

QM/MM methods for biomolecular systems

29 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3082581

Continuum polarizable force field within the Poisson-Boltzmann framework

29 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3082581

Gaussian induced dipole polarization model

29 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3082581

Strike a balance: optimization of backbone torsion parameters of AMBER polarizable force field for simulations of proteins and peptides

29 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3082581

Force fields for protein simulations

29 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3082581

Development and validation of a genetic algorithm for flexible docking

29 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3082581

An evolutionary approach to folding small alpha-helical proteins that uses sequence information and an empirical guiding fitness function

29 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3082581

Continuum treatment of electronic polarization effect

29 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3082581

Genetic algorithm-optimized QSPR models for bioavailability, protein binding, and urinary excretion.

17 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3082581

Consistent treatment of inter- and intramolecular polarization in molecular mechanics calculations

17 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3082581

Automated docking of peptides and proteins by using a genetic algorithm combined with a tabu search.

17 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3082581

Polarizabilities of solvents from the chemical composition

17 August 2018

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/21391553

12 December 2020

inferred from PubMed ID database lookup

Modeling Induction Phenomena in Intermolecular Interactions with an Ab Initio Force Field

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/21391553

12 December 2020

inferred from PubMed ID database lookup

Fast Approaches for Molecular Polarizability Calculations

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/21391553

12 December 2020

inferred from PubMed ID database lookup

Identifiers

DOI

10.1021/JP112133G

1 reference

16 October 2017

1 reference

16 October 2017

PubMed publication ID

21391553

1 reference