A comparison of neighbor search algorithms for large rigid molecules

Consideration of data load time on modern processors for the Verlet table and linked-cell algorithms

(2011) Eduard S. Fomin   JOURNAL OF COMPUTATIONAL CHEMISTRY

Practically Useful: What the RosettaProtein Modeling Suite Can Do for You

(2010) Kristian W. Kaufmann et al.   BIOCHEMISTRY

Practical modeling of molecular systems with symmetries

(2010) Sergei Grudinin et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

A soft collision detection algorithm for simple Brownian dynamics

(2009) William R. Taylor et al.   COMPUTATIONAL BIOLOGY AND CHEMISTRY

RACBVHs: Random-Accessible Compressed Bounding Volume Hierarchies

(2009) Tae-Joon Kim et al.   IEEE TRANSACTIONS ON VISUALIZATION AND COMPUTER GRAPHICS

The neighbor list algorithm for a parallelepiped box in molecular dynamics simulations

(2009) ZhiWei Cui et al.   Science Bulletin

A generalized knowledge-based discriminatory function for biomolecular interactions

(2008) Brady Bernard et al.   PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS

Bottom-Up Construction and 2:1 Balance Refinement of Linear Octrees in Parallel

(2008) Hari Sundar et al.   SIAM JOURNAL ON SCIENTIFIC COMPUTING