BUILDER v.2: improving the chemistry of a de novo design strategy (Q46836531)

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scientific article published in June 1995

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Language	Label	Description	Also known as
English	BUILDER v.2: improving the chemistry of a de novo design strategy	scientific article published in June 1995

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instance of

scholarly article

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Europe PubMed Central

PubMed publication ID

7561978

retrieved

25 December 2017

reference URL

http://europepmc.org/abstract/MED/7561978

title

BUILDER v.2: improving the chemistry of a de novo design strategy (English)

1 reference

stated in

Europe PubMed Central

PubMed publication ID

7561978

retrieved

25 December 2017

reference URL

http://europepmc.org/abstract/MED/7561978

author name string

D C Roe

series ordinal

1

1 reference

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Europe PubMed Central

PubMed publication ID

7561978

retrieved

25 December 2017

reference URL

http://europepmc.org/abstract/MED/7561978

I D Kuntz

series ordinal

2

1 reference

stated in

Europe PubMed Central

PubMed publication ID

7561978

retrieved

25 December 2017

reference URL

http://europepmc.org/abstract/MED/7561978

publication date

1 June 1995

1 reference

stated in

Europe PubMed Central

PubMed publication ID

7561978

retrieved

25 December 2017

reference URL

http://europepmc.org/abstract/MED/7561978

published in

Journal of Computer - Aided Molecular Design

1 reference

stated in

Europe PubMed Central

PubMed publication ID

7561978

retrieved

25 December 2017

reference URL

http://europepmc.org/abstract/MED/7561978

volume

9

1 reference

stated in

Europe PubMed Central

PubMed publication ID

7561978

retrieved

25 December 2017

reference URL

http://europepmc.org/abstract/MED/7561978

issue

3

1 reference

stated in

Europe PubMed Central

PubMed publication ID

7561978

retrieved

25 December 2017

reference URL

http://europepmc.org/abstract/MED/7561978

page(s)

269-282

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stated in

Europe PubMed Central

PubMed publication ID

7561978

retrieved

25 December 2017

reference URL

http://europepmc.org/abstract/MED/7561978

cites work

Docking by least-squares fitting of molecular surface patterns

1 reference

stated in

PubMed

reference URL

https://pubmed.ncbi.nlm.nih.gov/7561978

retrieved

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

SPROUT: recent developments in the de novo design of molecules

1 reference

stated in

PubMed

reference URL

https://pubmed.ncbi.nlm.nih.gov/7561978

retrieved

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Automated molecular design: a new fragment-joining algorithm.

1 reference

stated in

PubMed

reference URL

https://pubmed.ncbi.nlm.nih.gov/7561978

retrieved

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Automated site-directed drug design using molecular lattices

1 reference

stated in

PubMed

reference URL

https://pubmed.ncbi.nlm.nih.gov/7561978

retrieved

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Computer design of bioactive molecules: a method for receptor-based de novo ligand design

1 reference

stated in

PubMed

reference URL

https://pubmed.ncbi.nlm.nih.gov/7561978

retrieved

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

New hydrogen-bond potentials for use in determining energetically favorable binding sites on molecules of known structure

1 reference

stated in

PubMed

reference URL

https://pubmed.ncbi.nlm.nih.gov/7561978

retrieved

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

An investigation into the construction of molecular models by the template joining method.

1 reference

stated in

PubMed

reference URL

https://pubmed.ncbi.nlm.nih.gov/7561978

retrieved

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Design, activity, and 2.8 A crystal structure of a C2 symmetric inhibitor complexed to HIV-1 protease

1 reference

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PubMed

reference URL

https://pubmed.ncbi.nlm.nih.gov/7561978

retrieved

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

CLIX: A search algorithm for finding novel ligands capable of binding proteins of known three‐dimensional structure

1 reference

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PubMed

reference URL

https://pubmed.ncbi.nlm.nih.gov/7561978

retrieved

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Confirmation of usefulness of a structure construction program based on three-dimensional receptor structure for rational lead generation.

1 reference

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PubMed

reference URL

https://pubmed.ncbi.nlm.nih.gov/7561978

retrieved

12 December 2020

based on heuristic

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Functionality maps of binding sites: a multiple copy simultaneous search method

1 reference

stated in

PubMed

reference URL

https://pubmed.ncbi.nlm.nih.gov/7561978

retrieved

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

The computer program LUDI: a new method for the de novo design of enzyme inhibitors

1 reference

stated in

PubMed

reference URL

https://pubmed.ncbi.nlm.nih.gov/7561978

retrieved

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

A geometric approach to macromolecule-ligand interactions

1 reference

stated in

PubMed

reference URL

https://pubmed.ncbi.nlm.nih.gov/7561978

retrieved

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Thienothiopyran-2-sulfonamides: novel topically active carbonic anhydrase inhibitors for the treatment of glaucoma

1 reference

stated in

PubMed

reference URL

https://pubmed.ncbi.nlm.nih.gov/7561978

retrieved

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Structure-based design of nonpeptide inhibitors specific for the human immunodeficiency virus 1 protease

1 reference

stated in

PubMed

reference URL

https://pubmed.ncbi.nlm.nih.gov/7561978

retrieved

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

HINT: a new method of empirical hydrophobic field calculation for CoMFA.

1 reference

stated in

PubMed

reference URL

https://pubmed.ncbi.nlm.nih.gov/7561978

retrieved

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Rational design of potent, bioavailable, nonpeptide cyclic ureas as HIV protease inhibitors

1 reference

stated in

PubMed

reference URL

https://pubmed.ncbi.nlm.nih.gov/7561978

retrieved

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

The Protein Data Bank: a computer-based archival file for macromolecular structures

1 reference

stated in

PubMed

reference URL

https://pubmed.ncbi.nlm.nih.gov/7561978

retrieved

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

FLOG: a system to select 'quasi-flexible' ligands complementary to a receptor of known three-dimensional structure

1 reference

stated in

PubMed

reference URL

https://pubmed.ncbi.nlm.nih.gov/7561978

retrieved

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Molecular modeling in the design of phospholipase A2 inhibitors

1 reference

stated in

PubMed

reference URL

https://pubmed.ncbi.nlm.nih.gov/7561978

retrieved

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Structure-based inhibitor design by using protein models for the development of antiparasitic agents

1 reference

stated in

PubMed

reference URL

https://pubmed.ncbi.nlm.nih.gov/7561978

retrieved

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Structure-based discovery of inhibitors of thymidylate synthase

1 reference

stated in

PubMed

reference URL

https://pubmed.ncbi.nlm.nih.gov/7561978

retrieved

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Automated site-directed drug design: approaches to the formation of 3D molecular graphs.

1 reference

stated in

PubMed

reference URL

https://pubmed.ncbi.nlm.nih.gov/7561978

retrieved

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Automated site-directed drug design: a general algorithm for knowledge acquisition about hydrogen-bonding regions at protein surfaces.

1 reference

stated in

PubMed

reference URL

https://pubmed.ncbi.nlm.nih.gov/7561978

retrieved

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

SPROUT: a program for structure generation.

1 reference

stated in

PubMed

reference URL

https://pubmed.ncbi.nlm.nih.gov/7561978

retrieved

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Automated site-directed drug design: the concept of spacer skeletons for primary structure generation.

1 reference

stated in

PubMed

reference URL

https://pubmed.ncbi.nlm.nih.gov/7561978

retrieved

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

LUDI: rule-based automatic design of new substituents for enzyme inhibitor leads

1 reference

stated in

PubMed

reference URL

https://pubmed.ncbi.nlm.nih.gov/7561978

retrieved

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Automated site-directed drug design: the formation of molecular templates in primary structure generation

1 reference

stated in

PubMed

reference URL

https://pubmed.ncbi.nlm.nih.gov/7561978

retrieved

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Predicting antibody hypervariable loop conformation. I. Ensembles of random conformations for ringlike structures

1 reference

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PubMed

reference URL

https://pubmed.ncbi.nlm.nih.gov/7561978

retrieved

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

GroupBuild: a fragment-based method for de novo drug design

1 reference

stated in

PubMed

reference URL

https://pubmed.ncbi.nlm.nih.gov/7561978

retrieved

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

GenStar: a method for de novo drug design.

1 reference

stated in

PubMed

reference URL

https://pubmed.ncbi.nlm.nih.gov/7561978

retrieved

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

The NEWLEAD program: a new method for the design of candidate structures from pharmacophoric hypotheses.

1 reference

stated in

PubMed

reference URL

https://pubmed.ncbi.nlm.nih.gov/7561978

retrieved

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Design of enzyme inhibitors using iterative protein crystallographic analysis

1 reference

stated in

PubMed

reference URL

https://pubmed.ncbi.nlm.nih.gov/7561978

retrieved

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

FOUNDATION: a program to retrieve all possible structures containing a user-defined minimum number of matching query elements from three-dimensional databases

1 reference

stated in

PubMed

reference URL

https://pubmed.ncbi.nlm.nih.gov/7561978

retrieved

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

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

1 reference

stated in

PubMed

reference URL

https://pubmed.ncbi.nlm.nih.gov/7561978

retrieved

12 December 2020

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Identifiers

DOI

10.1007/BF00124457

1 reference

stated in

Europe PubMed Central

PubMed publication ID

7561978

retrieved

25 December 2017

reference URL

http://europepmc.org/abstract/MED/7561978

DBLP publication ID

journals/jcamd/RoeK95

1 reference

stated in

DBLP Dataset 2021-01-02

retrieved

28 January 2021

PubMed publication ID

7561978

1 reference

stated in

Europe PubMed Central

PubMed publication ID

7561978

retrieved

25 December 2017

reference URL

http://europepmc.org/abstract/MED/7561978

 

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