(Q74633107)

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:10091117%20AND%20SRC:MED&resulttype=core&format=json

12 November 2019

title

Scoring functions: a view from the bench (English)

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:10091117%20AND%20SRC:MED&resulttype=core&format=json

12 November 2019

author name string

J R Tame

series ordinal

1

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:10091117%20AND%20SRC:MED&resulttype=core&format=json

12 November 2019

publication date

1 March 1999

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:10091117%20AND%20SRC:MED&resulttype=core&format=json

Journal of Computer - Aided Molecular Design

12 November 2019

published in

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:10091117%20AND%20SRC:MED&resulttype=core&format=json

12 November 2019

volume

13

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:10091117%20AND%20SRC:MED&resulttype=core&format=json

12 November 2019

issue

2

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:10091117%20AND%20SRC:MED&resulttype=core&format=json

12 November 2019

page(s)

99-108

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:10091117%20AND%20SRC:MED&resulttype=core&format=json

https://scigraph.springernature.com/pub.10.1023/a:1008068903544

12 November 2019

exact match

0 references

cites work

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12 December 2020

Win some, lose some: enthalpy-entropy compensation in weak intermolecular interactions

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12 December 2020

Sensing the heat: the application of isothermal titration calorimetry to thermodynamic studies of biomolecular interactions

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12 December 2020

The role of water molecules in the structure-based design of (5-hydroxynorvaline)-2-cyclosporin: synthesis, biological activity, and crystallographic analysis with cyclophilin A

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The role of water in sequence-independent ligand binding by an oligopeptide transporter protein

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Free energy of burying hydrophobic residues in the interface between protein subunits.

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The use of synthetic oligonucleotides as hybridization probes. II. Hybridization of oligonucleotides of mixed sequence to rabbit β-globin DNA

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Peptide mimetics as enzyme inhibitors: use of free energy perturbation calculations to evaluate isosteric replacement for amide bonds in a potent HIV protease inhibitor.

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12 December 2020

The development of a simple empirical scoring function to estimate the binding constant for a protein-ligand complex of known three-dimensional structure

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A new class of models for computing receptor-ligand binding affinities

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Comparison of atomic solvation parametric sets: applicability and limitations in protein folding and binding

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Computational tools for structure-based ligand design

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Stability of protein structure and hydrophobic interaction.

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12 December 2020

Classical electrostatics in biology and chemistry

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12 December 2020

Just add water! The effect of water on the specificity of protein-ligand binding sites and its potential application to drug design

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12 December 2020

Co-operativity in protein-protein association. The structure and stability of the actin filament

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12 December 2020

Protein solvation in allosteric regulation: a water effect on hemoglobin

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12 December 2020

Study of strong to ultratight protein interactions using differential scanning calorimetry

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12 December 2020

Entropic Contributions to Rate Accelerations in Enzymic and Intramolecular Reactions and the Chelate Effect

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12 December 2020

Scoring noncovalent protein-ligand interactions: a continuous differentiable function tuned to compute binding affinities

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12 December 2020

Protein binding versus protein folding: the role of hydrophilic bridges in protein associations

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12 December 2020

Absolute and relative binding free energy calculations of the interaction of biotin and its analogs with streptavidin using molecular dynamics/free energy perturbation approaches

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12 December 2020

A preference-based free-energy parameterization of enzyme-inhibitor binding. Applications to HIV-1-protease inhibitor design

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12 December 2020

Bound water molecules and conformational stabilization help mediate an antigen-antibody association

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12 December 2020

Solvation energy in protein folding and binding

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12 December 2020

Electrostatic effects in macromolecules: fundamental concepts and practical modeling.

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12 December 2020

Determination of the differential effects of hydrogen bonding and water release on the binding of FK506 to native and Tyr82-->Phe82 FKBP-12 proteins using free energy simulations.

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12 December 2020

A hot spot of binding energy in a hormone-receptor interface

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12 December 2020

The statistical-thermodynamic basis for computation of binding affinities: a critical review

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12 December 2020

Helmholtz free energies of atom pair interactions in proteins

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12 December 2020

Defining the structure and stability of macromolecular assemblies in solution: the re-emergence of analytical ultracentrifugation as a practical tool

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12 December 2020

The chloride effect in human haemoglobin. A new kind of allosteric mechanism

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Kinetic analysis of biosensor data: elementary tests for self-consistency.

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12 December 2020

Hydrophobic bonding and accessible surface area in proteins

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12 December 2020

Determination of atomic desolvation energies from the structures of crystallized proteins.

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12 December 2020

Heat capacity and entropy changes in processes involving proteins

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12 December 2020

The Entropic Cost of Bound Water in Crystals and Biomolecules

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12 December 2020

Affinity and specificity of serine endopeptidase-protein inhibitor interactions. Empirical free energy calculations based on X-ray crystallographic structures.

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12 December 2020

Energy calculations and analysis of HIV-1 protease-inhibitor crystal structures

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12 December 2020

Structure-based drug design: progress, results and challenges

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12 December 2020

Optical evanescent wave methods for the study of biomolecular interactions

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12 December 2020

Empirical free energy calculations of ligand-protein crystallographic complexes. I. Knowledge-based ligand-protein interaction potentials applied to the prediction of human immunodeficiency virus 1 protease binding affinity.

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12 December 2020

The structural basis of sequence-independent peptide binding by OppA protein

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12 December 2020

Computational methods to predict binding free energy in ligand-receptor complexes

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12 December 2020

Side-chain conformational entropy in protein folding

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12 December 2020

Calculation of the free energy of association for protein complexes

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12 December 2020

On the attribution and additivity of binding energies

1 reference

12 December 2020

Can drugs be designed?

1 reference

12 December 2020

Identifiers

DOI

10.1023/A:1008068903544

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:10091117%20AND%20SRC:MED&resulttype=core&format=json

12 November 2019

DBLP publication ID

journals/jcamd/Tame99

1 reference

DBLP Dataset 2021-01-02

Dimensions Publication ID

28 January 2021

0 references

1 reference