(Q44190842)

30 November 2017

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

1 reference

30 November 2017

Visvaldas Kairys

1

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author name string

Michael K Gilson

series ordinal

2

1 reference

PubMed ID

12395431

30 November 2017

language of work or name

1 reference

1 December 2002

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Journal of Computational Chemistry

30 November 2017

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30 November 2017

23

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30 November 2017

1656-1670

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30 November 2017

16

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Ligand-receptor docking with the Mining Minima optimizer.

30 November 2017

1 reference

A comparison of heuristic search algorithms for molecular docking.

21 January 2018

1 reference

Developing a dynamic pharmacophore model for HIV-1 integrase.

21 January 2018

1 reference

Ligand docking to proteins with discrete side-chain flexibility.

21 January 2018

1 reference

Predicting structural effects in HIV-1 protease mutant complexes with flexible ligand docking and protein side-chain optimization

21 January 2018

1 reference

FlexE: efficient molecular docking considering protein structure variations.

21 January 2018

1 reference

Molecular docking to ensembles of protein structures

21 January 2018

1 reference

Automated docking to multiple target structures: incorporation of protein mobility and structural water heterogeneity in AutoDock

21 January 2018

1 reference

Monte Carlo docking of oligopeptides to proteins.

21 January 2018

1 reference

Molecular dynamics simulation of the docking of substrates to proteins.

21 January 2018

1 reference

CHARMM: A program for macromolecular energy, minimization, and dynamics calculations

21 January 2018

1 reference

All-atom empirical potential for molecular modeling and dynamics studies of proteins

21 January 2018

1 reference

The early stage of folding of villin headpiece subdomain observed in a 200-nanosecond fully solvated molecular dynamics simulation

21 January 2018

1 reference

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

21 January 2018

1 reference

21 January 2018

The Protein Data Bank

1 reference

Refined crystal structure of dogfish M4 apo-lactate dehydrogenase

21 January 2018

1 reference

High-resolution crystal structure of cytochrome P450cam

21 January 2018

1 reference

Structural origins of high-affinity biotin binding to streptavidin

21 January 2018

1 reference

X-ray crystallographic investigation of substrate binding to carboxypeptidase A at subzero temperature

21 January 2018

1 reference

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

21 January 2018

1 reference

Refinement of the influenza virus hemagglutinin by simulated annealing

21 January 2018

1 reference

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

21 January 2018

1 reference

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

1 reference

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

21 January 2018

1 reference

KEGG: kyoto encyclopedia of genes and genomes

21 January 2018

1 reference

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

21 January 2018

1 reference

21 January 2018

Identifiers

DOI

10.1002/JCC.10168

1 reference

30 November 2017

journals/jcc/KairysG02

1 reference

DBLP Dataset 2021-01-02

28 January 2021

1 reference

PubMed ID

12395431