(Q52333998)

English

The atom assignment problem in automated de novo drug design. 3. Algorithms for optimization of fragment placement onto 3D molecular graphs.

scientific article published in August 1995

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scholarly article

1 reference

Europe PubMed Central

29 April 2018

http://europepmc.org/abstract/MED/8523045

The atom assignment problem in automated de novo drug design. 3. Algorithms for optimization of fragment placement onto 3D molecular graphs. (English)

1 reference

Europe PubMed Central

29 April 2018

http://europepmc.org/abstract/MED/8523045

molecular design

0 references

author name string

M T Barakat

1

1 reference

Europe PubMed Central

29 April 2018

http://europepmc.org/abstract/MED/8523045

P M Dean

2

1 reference

Europe PubMed Central

29 April 2018

http://europepmc.org/abstract/MED/8523045

publication date

1 August 1995

1 reference

Europe PubMed Central

29 April 2018

http://europepmc.org/abstract/MED/8523045

Journal of Computer - Aided Molecular Design

1 reference

Europe PubMed Central

29 April 2018

http://europepmc.org/abstract/MED/8523045

9

1 reference

Europe PubMed Central

29 April 2018

http://europepmc.org/abstract/MED/8523045

4

1 reference

Europe PubMed Central

29 April 2018

http://europepmc.org/abstract/MED/8523045

359-372

1 reference

Europe PubMed Central

29 April 2018

http://europepmc.org/abstract/MED/8523045

https://scigraph.springernature.com/pub.10.1007/bf00125177

0 references

Molecular structure matching by simulated annealing. I. A comparison between different cooling schedules

1 reference

https://pubmed.ncbi.nlm.nih.gov/8523045

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Crystal structures of recombinant human dihydrofolate reductase complexed with folate and 5-deazafolate

1 reference

https://pubmed.ncbi.nlm.nih.gov/8523045

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Molecular structure matching by simulated annealing. IV. Classification of atom correspondences in sets of dissimilar molecules

1 reference

https://pubmed.ncbi.nlm.nih.gov/8523045

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Automated site-directed drug design: the generation of a basic set of fragments to be used for automated structure assembly

1 reference

https://pubmed.ncbi.nlm.nih.gov/8523045

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Automated site-directed drug design: an assessment of the transferability of atomic residual charges (CNDO) for molecular fragments

1 reference

https://pubmed.ncbi.nlm.nih.gov/8523045

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

The refined structure of the complex between adenylate kinase from beef heart mitochondrial matrix and its substrate AMP at 1.85 A resolution

1 reference

https://pubmed.ncbi.nlm.nih.gov/8523045

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Structure of a complex of catabolite gene activator protein and cyclic AMP refined at 2.5 A resolution

1 reference

https://pubmed.ncbi.nlm.nih.gov/8523045

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Crystallographic refinement of human serum retinol binding protein at 2A resolution

1 reference

https://pubmed.ncbi.nlm.nih.gov/8523045

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

The atom assignment problem in automated de novo drug design. 1. Transferability of molecular fragment properties

1 reference

https://pubmed.ncbi.nlm.nih.gov/8523045

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

An exploration of a novel strategy for superposing several flexible molecules.

1 reference

https://pubmed.ncbi.nlm.nih.gov/8523045

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Molecular structure matching by simulated annealing. II. An exploration of the evolution of configuration landscape problems

1 reference

https://pubmed.ncbi.nlm.nih.gov/8523045

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Molecular structure matching by simulated annealing. III. The incorporation of null correspondences into the matching problem.

1 reference

https://pubmed.ncbi.nlm.nih.gov/8523045

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Crystal structure of p-hydroxybenzoate hydroxylase complexed with its reaction product 3,4-dihydroxybenzoate

1 reference

https://pubmed.ncbi.nlm.nih.gov/8523045

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

The atom assignment problem in automated de novo drug design. 2. A method for molecular graph and fragment perception.

1 reference

https://pubmed.ncbi.nlm.nih.gov/8523045

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Tables of bond lengths determined by X-ray and neutron diffraction. Part 1. Bond lengths in organic compounds

1 reference

https://opencitations.net/index/coci/api/v1/citations/10.1039/P298700000S1

5 March 2023

Identifiers

10.1007/BF00125177

1 reference

Europe PubMed Central

29 April 2018

http://europepmc.org/abstract/MED/8523045

DBLP publication ID

journals/jcamd/BarakatD95b

1 reference

DBLP Dataset 2021-01-02

28 January 2021

1 reference

Europe PubMed Central

29 April 2018

http://europepmc.org/abstract/MED/8523045

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