✦ LIBER ✦

Molecular dynamics simulations of a protein in the canonical ensemble

✍ Scribed by Tobias, Douglas J.; Martyna, Glenn J.; Klein, Michael L.

Book ID: 125483801
Publisher: American Chemical Society
Year: 1993
Tongue: English
Weight: 982 KB
Volume: 97
Category: Article
ISSN: 0022-3654
DOI: 10.1021/j100151a052

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

A molecular dynamics method for simulati

A molecular dynamics method for simulations in the canonical ensemble

✍ Nosé, Shūichi 📂 Article 📅 1984 🏛 Taylor and Francis Group 🌐 English ⚖ 600 KB

A molecular dynamics method for simulati

A molecular dynamics method for simulations in the canonical ensemble

✍ NOSÉ, SH[Ubar]ICHI 📂 Article 📅 2002 🏛 Taylor and Francis Group 🌐 English ⚖ 557 KB

Molecular dynamical simulation of the ca

Molecular dynamical simulation of the canonical ensemble

✍ Ernesto Bonomi 📂 Article 📅 1985 🏛 Springer 🌐 English ⚖ 518 KB

Molecular dynamics simulation in the gra

Molecular dynamics simulation in the grand canonical ensemble

✍ Hossein Eslami; Florian Müller-Plathe 📂 Article 📅 2007 🏛 John Wiley and Sons 🌐 English ⚖ 264 KB

## Abstract An extended system Hamiltonian is proposed to perform molecular dynamics (MD) simulation in the grand canonical ensemble. The Hamiltonian is similar to the one proposed by Lynch and Pettitt (Lynch and Pettitt, J Chem Phys 1997, 107, 8594), which consists of the kinetic and potential ene

A new algorithm for molecular dynamics s

A new algorithm for molecular dynamics simulations in the grand canonical ensemble

✍ Vega, Lourdes F.; Shing, Katherine S.; Rull, Luis F. 📂 Article 📅 1994 🏛 Taylor and Francis Group 🌐 English ⚖ 772 KB

Grand canonical ensemble molecular dynam

Grand canonical ensemble molecular dynamics simulations: Reformulation of extended system dynamics approaches

✍ Lynch, Gillian C.; Pettitt, B. Montgomery 📂 Article 📅 1997 🏛 American Institute of Physics 🌐 English ⚖ 564 KB