A method for fast energy estimation and visualization of protein-ligand interaction (Q44302800)

1 December 2017

A method for fast energy estimation and visualization of protein-ligand interaction (English)

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1 December 2017

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N Tomioka

1

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PubMed ID

3504963

1 December 2017

A Itai

series ordinal

2

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PubMed ID

3504963

1 December 2017

Y Iitaka

series ordinal

3

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1 December 2017

1 October 1987

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Journal of Computer - Aided Molecular Design

1 December 2017

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1 December 2017

1

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1 December 2017

3

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1 December 2017

197-210

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https://scigraph.springernature.com/pub.10.1007/bf01677044

1 December 2017

0 references

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12 December 2020

General distance geometry three-dimensional receptor model for diverse dihydrofolate reductase inhibitors

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12 December 2020

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12 December 2020

The crystal and molecular structure of the antifolate drug trimethoprim (2,4-diamino-5-(3,4,5-trimethoxybenzyl)pyrimidine). A neutron diffraction study

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Studies of nucleotide conformations and interactions. The relative stabilities of double‐helical B‐DNA sequence isomers

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12 December 2020

Potential functions for hydrogen bond interactions I. A modified lippincott-schroeder potential function for NH⋯O interaction between peptide groups

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12 December 2020

Electrostatic potential molecular surfaces

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12 December 2020

Comparison of the inhibition of Escherichia coli and Lactobacillus casei dihydrofolate reductase by 2,4-diamino-5-(substituted-benzyl)pyrimidines: quantitative structure-activity relationships, X-ray crystallography, and computer graphics in structu

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12 December 2020

Structure of the complex formed by bovine trypsin and bovine pancreatic trypsin inhibitor. II. Crystallographic refinement at 1.9 A resolution.

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12 December 2020

Picosecond dynamics of tyrosine side chains in proteins

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12 December 2020

Receptor-based design of dihydrofolate reductase inhibitors: comparison of crystallographically determined enzyme binding with enzyme affinity in a series of carboxy-substituted trimethoprim analogues

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12 December 2020

The use of crystallography, graphics, and quantitative structure--activity relationships in the analysis of the papain hydrolysis of X-phenyl hippurates

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12 December 2020

A computational procedure for determining energetically favorable binding sites on biologically important macromolecules

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12 December 2020

Refined crystal structures of Escherichia coli and chicken liver dihydrofolate reductase containing bound trimethoprim

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12 December 2020

Crystal structures of Escherichia coli and Lactobacillus casei dihydrofolate reductase refined at 1.7 A resolution. I. General features and binding of methotrexate

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12 December 2020

Directional hydrogen bonding to sp2- and sp3-hybridized oxygen atoms and its relevance to ligand-macromolecule interactions

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COCI

https://opencitations.net/index/coci/api/v1/citations/10.1021/JA00316A034

5 March 2023

Identifiers

DOI

10.1007/BF01677044

1 reference

journals/jcamd/TomiokaII87

1 December 2017

1 reference

DBLP Dataset 2021-01-02

28 January 2021

1 reference

PubMed ID

3504963