(Q44190842)

30 November 2017

title

Enhanced docking with the mining minima optimizer: acceleration and side-chain flexibility (English)

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30 November 2017

Visvaldas Kairys

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Michael K Gilson

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30 November 2017

language of work or name

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1 December 2002

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Journal of Computational Chemistry

30 November 2017

published in

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30 November 2017

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30 November 2017

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30 November 2017

page(s)

1656-1670

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Ligand-receptor docking with the Mining Minima optimizer.

30 November 2017

cites work

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A comparison of heuristic search algorithms for molecular docking.

21 January 2018

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Developing a dynamic pharmacophore model for HIV-1 integrase.

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Ligand docking to proteins with discrete side-chain flexibility.

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FlexE: efficient molecular docking considering protein structure variations.

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Molecular docking to ensembles of protein structures

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

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Refinement of the influenza virus hemagglutinin by simulated annealing

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Three-dimensional structure of p21 in the active conformation and analysis of an oncogenic mutant

21 January 2018

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

21 January 2018

1 reference

Three-dimensional structure of an anti-steroid Fab' and progesterone-Fab' complex

21 January 2018

1 reference

Crystal structure of YecO from Haemophilus influenzae (HI0319) reveals a methyltransferase fold and a bound S-adenosylhomocysteine

21 January 2018

1 reference

Development and validation of a genetic algorithm for flexible docking

21 January 2018

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Structural analysis of antibody specificity. Detailed comparison of five Fab'-steroid complexes

21 January 2018

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Amino/aromatic interactions in proteins: is the evidence stacked against hydrogen bonding?

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21 January 2018

Identifiers

DOI

10.1002/JCC.10168

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30 November 2017

DBLP publication ID

journals/jcc/KairysG02

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DBLP Dataset 2021-01-02

28 January 2021

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