(Q38011251)

26 August 2017

title

Modeling molecular recognition: theory and application (English)

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26 August 2017

K Mardis

1

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Ray Luo

object named as

R Luo

2

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author name string

L David

3

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26 August 2017

M Potter

4

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26 August 2017

A Glemza

5

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26 August 2017

G Payne

6

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26 August 2017

M K Gilson

7

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26 August 2017

publication date

1 January 2000

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Journal of Biomolecular Structure and Dynamics

26 August 2017

published in

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26 August 2017

volume

17 Suppl 1

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26 August 2017

page(s)

89-94

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

26 August 2017

cites work

1 reference

https://api.crossref.org/works/10.1080%2F07391102.2000.10506608

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

21 January 2018

1 reference

https://api.crossref.org/works/10.1080%2F07391102.2000.10506608

Nucleic acid base-pairing and N-methylacetamide self-association in chloroform: affinity and conformation.

21 January 2018

1 reference

https://api.crossref.org/works/10.1080%2F07391102.2000.10506608

CHARMM: A program for macromolecular energy, minimization, and dynamics calculations

21 January 2018

1 reference

https://api.crossref.org/works/10.1080%2F07391102.2000.10506608

Semianalytical treatment of solvation for molecular mechanics and dynamics

21 January 2018

1 reference

https://api.crossref.org/works/10.1080%2F07391102.2000.10506608

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

21 January 2018

1 reference

https://api.crossref.org/works/10.1080%2F07391102.2000.10506608

Helix stabilization by Glu-...Lys+ salt bridges in short peptides of de novo design

21 January 2018

1 reference

https://api.crossref.org/works/10.1080%2F07391102.2000.10506608

Ion-pair and charged hydrogen-bond interactions between histidine and aspartate in a peptide helix

21 January 2018

1 reference

https://api.crossref.org/works/10.1080%2F07391102.2000.10506608

Are buried salt bridges important for protein stability and conformational specificity?

21 January 2018

1 reference

https://api.crossref.org/works/10.1080%2F07391102.2000.10506608

Heats of base pair formation with adenine and uracil analogs

21 January 2018

1 reference

https://api.crossref.org/works/10.1080%2F07391102.2000.10506608

Design and synthesis of substrate-based peptidomimetic human immunodeficiency virus protease inhibitors containing the hydroxymethylcarbonyl isostere

21 January 2018

1 reference

https://api.crossref.org/works/10.1080%2F07391102.2000.10506608

Structure of HIV-1 protease with KNI-272, a tight-binding transition-state analog containing allophenylnorstatine

21 January 2018

1 reference

https://api.crossref.org/works/10.1080%2F07391102.2000.10506608

Cyclic HIV protease inhibitors: synthesis, conformational analysis, P2/P2' structure-activity relationship, and molecular recognition of cyclic ureas

21 January 2018

1 reference

https://api.crossref.org/works/10.1080%2F07391102.2000.10506608

10.1080/07391102.2000.10506608

21 January 2018

Identifiers

DOI

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26 August 2017

1 reference