(Q41667437)

6 October 2017

Mouse acetylcholinesterase unliganded and in complex with huperzine A: a comparison of molecular dynamics simulations (English)

1 reference

6 October 2017

Tara S

1

1 reference

PubMed ID

10341665

6 October 2017

Straatsma TP

series ordinal

2

1 reference

PubMed ID

10341665

6 October 2017

McCammon JA

series ordinal

3

1 reference

6 October 2017

1 July 1999

1 reference

6 October 2017

1 reference

6 October 2017

50

1 reference

6 October 2017

1

1 reference

6 October 2017

35-43

1 reference

Quaternary ligand binding to aromatic residues in the active-site gorge of acetylcholinesterase

6 October 2017

1 reference

https://api.crossref.org/works/10.1002%2F%28SICI%291097-0282%28199907%2950%3A1%3C35%3A%3AAID-BIP4%3E3.0.CO%3B2-6

Structure of acetylcholinesterase complexed with the nootropic alkaloid, (-)-huperzine A

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2F%28SICI%291097-0282%28199907%2950%3A1%3C35%3A%3AAID-BIP4%3E3.0.CO%3B2-6

Acetylcholinesterase inhibition by fasciculin: crystal structure of the complex

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2F%28SICI%291097-0282%28199907%2950%3A1%3C35%3A%3AAID-BIP4%3E3.0.CO%3B2-6

Open "back door" in a molecular dynamics simulation of acetylcholinesterase.

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2F%28SICI%291097-0282%28199907%2950%3A1%3C35%3A%3AAID-BIP4%3E3.0.CO%3B2-6

Structure and dynamics of the active site gorge of acetylcholinesterase: synergistic use of molecular dynamics simulation and X-ray crystallography

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2F%28SICI%291097-0282%28199907%2950%3A1%3C35%3A%3AAID-BIP4%3E3.0.CO%3B2-6

Novel benzisoxazole derivatives as potent and selective inhibitors of acetylcholinesterase.

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2F%28SICI%291097-0282%28199907%2950%3A1%3C35%3A%3AAID-BIP4%3E3.0.CO%3B2-6

A computational procedure for determining energetically favorable binding sites on biologically important macromolecules

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2F%28SICI%291097-0282%28199907%2950%3A1%3C35%3A%3AAID-BIP4%3E3.0.CO%3B2-6

WHAT IF: a molecular modeling and drug design program

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2F%28SICI%291097-0282%28199907%2950%3A1%3C35%3A%3AAID-BIP4%3E3.0.CO%3B2-6

A Second Generation Force Field for the Simulation of Proteins, Nucleic Acids, and Organic Molecules

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2F%28SICI%291097-0282%28199907%2950%3A1%3C35%3A%3AAID-BIP4%3E3.0.CO%3B2-6

Numerical integration of the cartesian equations of motion of a system with constraints: molecular dynamics of n-alkanes

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2F%28SICI%291097-0282%28199907%2950%3A1%3C35%3A%3AAID-BIP4%3E3.0.CO%3B2-6

Solvent-accessible surfaces of proteins and nucleic acids

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2F%28SICI%291097-0282%28199907%2950%3A1%3C35%3A%3AAID-BIP4%3E3.0.CO%3B2-6

Conformation gating as a mechanism for enzyme specificity

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2F%28SICI%291097-0282%28199907%2950%3A1%3C35%3A%3AAID-BIP4%3E3.0.CO%3B2-6

Particle mesh Ewald: An N⋅log(N) method for Ewald sums in large systems

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2F%28SICI%291097-0282%28199907%2950%3A1%3C35%3A%3AAID-BIP4%3E3.0.CO%3B2-6

Molecular dynamics with coupling to an external bath

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2F%28SICI%291097-0282%28199907%2950%3A1%3C35%3A%3AAID-BIP4%3E3.0.CO%3B2-6

Electrostatics and diffusion of molecules in solution: simulations with the University of Houston Brownian Dynamics program

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2F%28SICI%291097-0282%28199907%2950%3A1%3C35%3A%3AAID-BIP4%3E3.0.CO%3B2-6

10.1002/(SICI)1097-0282(199907)50:1<35::AID-BIP4>3.0.CO;2-6

21 January 2018

Identifiers

DOI

1 reference

6 October 2017

1 reference

PubMed ID

10341665