(Q44501183)

3 December 2017

AM1-SM2 and PM3-SM3 parameterized SCF solvation models for free energies in aqueous solution (English)

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?resulttype=core&format=json&query=SRC%3AMED%20AND%20EXT_ID%3A1291630

9 September 2022

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?resulttype=core&format=json&query=SRC%3AMED%20AND%20EXT_ID%3A1291630

9 September 2022

1

1 reference

3 December 2017

2

1 reference

3 December 2017

language of work or name

English

1 reference

National Center for Biotechnology Information

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/esummary.fcgi?db=pubmed&retmode=json&id=1291630

9 September 2022

publication date

1 December 1992

1 reference

full work available at URL

3 December 2017

http://link.springer.com/content/pdf/10.1007/BF00126219.pdf

file format

Portable Document Format

1 reference

http://link.springer.com/article/10.1007/BF00126219/fulltext.html

27 November 2023

1 reference

http://link.springer.com/content/pdf/10.1007/BF00126219

27 November 2023

1 reference

Journal of Computer - Aided Molecular Design

27 November 2023

published in

1 reference

3 December 2017

6

1 reference

3 December 2017

629-666

1 reference

3 December 2017

6

1 reference

https://scigraph.springernature.com/pub.10.1007/bf00126219

3 December 2017

0 references

cites work

Influences of solvent water on protein folding: free energies of solvation of cis and trans peptides are nearly identical

1 reference

12 December 2020

Hydrophobicity of amino acid residues in globular proteins.

1 reference

12 December 2020

Computational method for the design of enzymes with altered substrate specificity

1 reference

12 December 2020

Accessible surface areas as a measure of the thermodynamic parameters of hydration of peptides

1 reference

12 December 2020

An SCF Solvation Model for the Hydrophobic Effect and Absolute Free Energies of Aqueous Solvation

1 reference

12 December 2020

"Squiggle-H2O". An enquiry into the importance of solvation effects in phosphate ester and anhydride reactions.

1 reference

12 December 2020

Interaction of the peptide bond with solvent water: a vapor phase analysis

1 reference

12 December 2020

MOPAC: a semiempirical molecular orbital program

1 reference

12 December 2020

Solvation energy in protein folding and binding

1 reference

12 December 2020

Empirical correlation between hydrophobic free energy and aqueous cavity surface area

1 reference

12 December 2020

Theoretical studies of enzymic reactions: dielectric, electrostatic and steric stabilization of the carbonium ion in the reaction of lysozyme

1 reference

12 December 2020

Hydrophobic bonding and accessible surface area in proteins

1 reference

12 December 2020

General parameterized SCF model for free energies of solvation in aqueous solution

1

1 reference

Molecular orbital theory calculations of aqueous solvation effects on chemical equilibria

27 November 2023

2

1 reference

Development and use of quantum mechanical molecular models. 76. AM1: a new general purpose quantum mechanical molecular model

27 November 2023

7

1 reference

Optimization of parameters for semiempirical methods I. Method

27 November 2023

11

1 reference

Self consistent field theory of solvent effects representation by continuum models: Introduction of desolvation contribution

27 November 2023

20

1 reference

Generalized born fragment charge model for solvation effects as a function of reaction coordinate

27 November 2023

22

1 reference

Semianalytical treatment of solvation for molecular mechanics and dynamics

27 November 2023

23

1 reference

Electronic Population Analysis on LCAO–MO Molecular Wave Functions. I

27 November 2023

26

1 reference

Journal of Chemical Physics

27 November 2023

33

55

117

S. Miertius

1981

1 reference

Proton transfer in water polymers as a model for intime and solvent-separated ion pairs

27 November 2023

35

1 reference

Journal of Organic Chemistry

27 November 2023

57

40

287

J. Hine

1975

1 reference

Comments on a comparison of AM1 with the recently developed PM3 method

27 November 2023

63

1 reference

Theory of the hydrophobic effect

27 November 2023

78

1 reference

van der Waals Volumes and Radii

27 November 2023

93

1 reference

Temperature dependence of the kinetic isotope effect for a gas-phase SN2 reaction: Cl- + CH3Br

27 November 2023

98

1 reference

Ground states of molecules. 38. The MNDO method. Approximations and parameters

27 November 2023

100

1 reference

27 November 2023

Identifiers

DOI

10.1007/BF00126219

1 reference

3 December 2017

journals/jcamd/CramerT92

1 reference

DBLP Dataset 2021-01-02

28 January 2021

1 reference