✦ LIBER ✦

Combining Water Percolation Analysis and Molecular Dynamics Simulations for Protein-Protein Binding Interface Prediction

✍ Scribed by Patel, Sandeep; Cui, Di; Ou, Shuching

Book ID: 122235517
Publisher: Biophysical Society
Year: 2014
Tongue: English
Weight: 61 KB
Volume: 106
Category: Article
ISSN: 0006-3495
DOI: 10.1016/j.bpj.2013.11.2689

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Carbohydrate-Protein Recognition: Molecu

Carbohydrate-Protein Recognition: Molecular Dynamics Simulations and Free Energy Analysis of Oligosaccharide Binding to Concanavalin A

✍ Bryce, R.A.; Hillier, I.H.; Naismith, J.H. 📂 Article 📅 2001 🏛 Biophysical Society 🌐 English ⚖ 288 KB

Searching for protein binding sites from

Searching for protein binding sites from Molecular Dynamics simulations and paramagnetic fragment-based NMR studies

✍ Bernini, Andrea; Henrici De Angelis, Lucia; Morandi, Edoardo; Spiga, Ottavia; Sa 📂 Article 📅 2014 🏛 Elsevier Science 🌐 English ⚖ 912 KB

In silico prediction of protein binding

In silico prediction of protein binding using molecular dynamic simulations: A future tool for accelerated process development

✍ Florian Dismer; Juergen Hubbuch 📂 Article 📅 2009 🏛 Elsevier Science 🌐 English ⚖ 57 KB

Molecular dynamics simulations of α2 → 8

Molecular dynamics simulations of α2 → 8-linked disialoside: Conformational analysis and implications for binding to proteins

✍ Sheeja V. Vasudevan; Petety V. Balaji 📂 Article 📅 2002 🏛 Wiley (John Wiley & Sons) 🌐 English ⚖ 259 KB 👁 1 views

Combining NMR ensembles and molecular dy

Combining NMR ensembles and molecular dynamics simulations provides more realistic models of protein structures in solution and leads to better chemical shift prediction

✍ Juuso Lehtivarjo; Kari Tuppurainen; Tommi Hassinen; Reino Laatikainen; Mikael Pe 📂 Article 📅 2012 🏛 Springer Netherlands 🌐 English ⚖ 901 KB

Molecular dynamics simulation accurately

Molecular dynamics simulation accurately predicts the experimentally-observed distributions of the (C, N, O) protein atoms around water molecules and sodium ions

✍ David C. Kombo; Matthew A. Young; David L. Beveridge 📂 Article 📅 2000 🏛 John Wiley and Sons 🌐 English ⚖ 102 KB 👁 2 views

A molecular dynamics simulation of the operator binding domain of the lambda repressor protein has been carried out. The protein was embedded in explicit waters, Na ؉ and CL ؊ ions. The Amber 4.1 computer package and the Cornell et al. Force field were used for energy-minimization and molecular dyna