(Q30770159)

26 June 2017

DREAM++: flexible docking program for virtual combinatorial libraries (English)

1 reference

26 June 2017

Makino S

1

1 reference

PubMed ID

10483532

26 June 2017

Ewing TJ

series ordinal

2

1 reference

PubMed ID

10483532

26 June 2017

Kuntz ID

series ordinal

3

1 reference

26 June 2017

1 September 1999

1 reference

Journal of Computer - Aided Molecular Design

26 June 2017

1 reference

26 June 2017

13

1 reference

26 June 2017

513-532

1 reference

26 June 2017

5

1 reference

Hydroxyethylene isostere inhibitors of human immunodeficiency virus-1 protease: structure-activity analysis using enzyme kinetics, X-ray crystallography, and infected T-cell assays

26 June 2017

1 reference

12 December 2020

Flexible ligand docking using a genetic algorithm.

1 reference

12 December 2020

Hammerhead: fast, fully automated docking of flexible ligands to protein binding sites.

1 reference

12 December 2020

Towards the automatic design of synthetically accessible protein ligands: peptides, amides and peptidomimetics

1 reference

12 December 2020

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

1 reference

12 December 2020

SPROUT: recent developments in the de novo design of molecules

1 reference

12 December 2020

A series of penicillin derived C2-symmetric inhibitors of HIV-1 proteinase: synthesis, mode of interaction, and structure-activity relationships

1 reference

12 December 2020

CONCERTS: dynamic connection of fragments as an approach to de novo ligand design

1 reference

12 December 2020

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

1 reference

12 December 2020

Docking flexible ligands to macromolecular receptors by molecular shape

1 reference

12 December 2020

Distributed automated docking of flexible ligands to proteins: Parallel applications of AutoDock 2.4

1 reference

12 December 2020

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

1 reference

12 December 2020

A genetic algorithm for flexible molecular overlay and pharmacophore elucidation.

1 reference

12 December 2020

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

1 reference

12 December 2020

Structure of complex of synthetic HIV-1 protease with a substrate-based inhibitor at 2.3 A resolution

1 reference

12 December 2020

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

1 reference

12 December 2020

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

1 reference

12 December 2020

Inhibition of human immunodeficiency virus-1 protease by a C2-symmetric phosphinate. Synthesis and crystallographic analysis

1 reference

12 December 2020

A geometric approach to macromolecule-ligand interactions

1 reference

12 December 2020

CombiDOCK: structure-based combinatorial docking and library design

1 reference

12 December 2020

Comparative analysis of the X-ray structures of HIV-1 and HIV-2 proteases in complex with CGP 53820, a novel pseudosymmetric inhibitor

1 reference

12 December 2020

X-ray crystallographic structure of a complex between a synthetic protease of human immunodeficiency virus 1 and a substrate-based hydroxyethylamine inhibitor

1 reference

12 December 2020

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

1 reference

12 December 2020

De novo design of enzyme inhibitors by Monte Carlo ligand generation

1 reference

12 December 2020

Synthesis and Applications of Small Molecule Libraries

1 reference

12 December 2020

Crystal structure of a complex of HIV‐1 protease with a dihydroxyethylene‐containing inhibitor: Comparisons with molecular modeling

1 reference

12 December 2020

Flexibases: a way to enhance the use of molecular docking methods

1 reference

12 December 2020

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

1 reference

12 December 2020

Measuring diversity: experimental design of combinatorial libraries for drug discovery

1 reference

12 December 2020

Structure at 2.5-A resolution of chemically synthesized human immunodeficiency virus type 1 protease complexed with a hydroxyethylene-based inhibitor

1 reference

12 December 2020

Structure-based design and combinatorial chemistry yield low nanomolar inhibitors of cathepsin D.

1 reference

12 December 2020

Automated docking of substrates to proteins by simulated annealing

1 reference

12 December 2020

SPROUT: a program for structure generation.

1 reference

12 December 2020

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

1 reference

12 December 2020

A series of penicillin-derived C2-symmetric inhibitors of HIV-1 proteinase: structural and modeling studies

1 reference

12 December 2020

A fast flexible docking method using an incremental construction algorithm.

1 reference

12 December 2020

Binding of a reduced peptide inhibitor to the aspartic proteinase from Rhizopus chinensis: implications for a mechanism of action

1 reference

12 December 2020

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

1 reference

12 December 2020

Structure-based inhibitors of HIV-1 protease

1 reference

12 December 2020

Rational automatic search method for stable docking models of protein and ligand.

1 reference

12 December 2020

GenStar: a method for de novo drug design.

1 reference

12 December 2020

Crystal structure of a tethered dimer of HIV-1 proteinase complexed with an inhibitor

1 reference

12 December 2020

PRO_SELECT: combining structure-based drug design and combinatorial chemistry for rapid lead discovery. 1. Technology

1 reference

12 December 2020

Identifiers

DOI

10.1023/A:1008066310669

1 reference

journals/jcamd/MakinoEK99

26 June 2017

1 reference

DBLP Dataset 2021-01-02

Dimensions Publication ID

28 January 2021

0 references

1 reference

PubMed ID

10483532