Self-guided Langevin dynamics via generalized Langevin equation

Toward canonical ensemble distribution from self-guided Langevin dynamics simulation

(2011) Xiongwu Wu et al.   JOURNAL OF CHEMICAL PHYSICS

Characterizing the denatured state of human prion 121–230

(2010) Cheng-I Lee et al.   BIOPHYSICAL CHEMISTRY

Colored-Noise Thermostats à la Carte

(2010) Michele Ceriotti et al.   Journal of Chemical Theory and Computation

Probing the Periplasmic-Open State of Lactose Permease in Response to Sugar Binding and Proton Translocation

(2010) Pushkar Y. Pendse et al.   JOURNAL OF MOLECULAR BIOLOGY

CHARMM: The biomolecular simulation program

(2009) B. R. Brooks et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Langevin Equation with Colored Noise for Constant-Temperature Molecular Dynamics Simulations

(2009) Michele Ceriotti et al.   PHYSICAL REVIEW LETTERS

Self-guided Langevin dynamics study of regulatory interactions in NtrC

(2009) Ana Damjanović et al.   PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS

Backbone Relaxation Coupled to the Ionization of Internal Groups in Proteins: A Self-Guided Langevin Dynamics Study

(2008) Ana Damjanović et al.   BIOPHYSICAL JOURNAL

Open Science Grid Study of the Coupling between Conformation and Water Content in the Interior of a Protein

(2008) Ana Damjanović et al.   Journal of Chemical Information and Modeling