Constant-Pressure Molecular Dynamics Techniques Applied to Complex Molecular Systems and Solvated Proteins
โ Scribed by Paci, Emanuele; Marchi, Massimo
- Book ID
- 126277652
- Publisher
- American Chemical Society
- Year
- 1996
- Tongue
- English
- Weight
- 548 KB
- Volume
- 100
- Category
- Article
- ISSN
- 0022-3654
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๐ SIMILAR VOLUMES
Analysis of a variety of dynamic phenomena requires simultaneous resolution at both atomistic and continuum length scales. A combined molecular dynamics and finite element method approach, which we discuss in this paper, allows us to find the balance between the necessary level of detail and computa
In this study, we present a new molecular dynamics program for simulation of complex molecular systems. The program, named ORAC, combines ลฝ . state-of-the-art molecular dynamics MD algorithms with flexibility in handling different types and sizes of molecules. ORAC is intended for simulations of mol