✦ LIBER ✦

GPU-accelerated molecular mechanics computations

✍ Scribed by Anthopoulos, Athanasios; Grimstead, Ian; Brancale, Andrea

Book ID: 120548701
Publisher: John Wiley and Sons
Year: 2013
Tongue: English
Weight: 1023 KB
Volume: 34
Category: Article
ISSN: 0192-8651
DOI: 10.1002/jcc.23384

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

GPU-accelerated molecular modeling comin

GPU-accelerated molecular modeling coming of age

✍ John E. Stone; David J. Hardy; Ivan S. Ufimtsev; Klaus Schulten 📂 Article 📅 2010 🏛 Elsevier Science 🌐 English ⚖ 365 KB

GPU-accelerated computation of electron

GPU-accelerated computation of electron transfer

✍ Siegfried Höfinger; Angela Acocella; Sergiu C. Pop; Tetsu Narumi; Kenji Yasuoka; 📂 Article 📅 2012 🏛 John Wiley and Sons 🌐 English ⚖ 369 KB

GPU-accelerated molecular dynamics simul

GPU-accelerated molecular dynamics simulation of solid covalent crystals

✍ Hou, Chaofeng; Ge, Wei 📂 Article 📅 2012 🏛 Taylor and Francis Group 🌐 English ⚖ 287 KB

gWEGA: GPU-accelerated WEGA for molecula

gWEGA: GPU-accelerated WEGA for molecular superposition and shape comparison

✍ Yan, Xin; Li, Jiabo; Gu, Qiong; Xu, Jun 📂 Article 📅 2014 🏛 John Wiley and Sons 🌐 English ⚖ 914 KB

Molmec, a general approach to molecular

Molmec, a general approach to molecular mechanics computations

✍ DeLos F. DeTar 📂 Article 📅 1977 🏛 Elsevier Science 🌐 English ⚖ 557 KB

Conformational analysis of heparin epoxi

Conformational analysis of heparin epoxide: molecular mechanics computations

✍ D.R. Ferro; J. Gajdoš; M. Ragazzi; F. Ungarelli; S. Piani 📂 Article 📅 1995 🏛 Elsevier Science 🌐 English ⚖ 757 KB

The conformation of models of the epoxy-derivative of the glycosaminoglycan heparin has been studied by molecular mechanics calculations using a MM2-1ike force field extended with parameters for the oxirane ring. Two dimers, two trimers and several higher homologs modeling heparin epoxide were inves