2 citations · 2 across the 2 of their papers we have counts for
2 papers
physics.comp-ph2005★ 2 cited
Modeling molecules with constraints
Charles F. F. Karney, Jason E. Ferrara
Techniques for simulating molecules whose conformations satisfy constraints are presented. A method for selecting appropriate moves in Monte Carlo simulations is given. The resulti…
cond-mat.stat-mech2004
Method for Computing Protein Binding Affinity
Charles F. F. Karney, Jason E. Ferrara, Stephan Brunner
A Monte Carlo method is given to compute the binding affinity of a ligand to a protein. The method involves extending configuration space by a discrete variable indicating whether…