Randomized tree construction algorithm to explore energy landscapes

Sampling-Based Path Planning on Configuration-Space Costmaps

(2010) Léonard Jaillet et al.   IEEE Transactions on Robotics

Quantitative Assessment of Force Fields on Both Low-Energy Conformational Basins and Transition-State Regions of the (ϕ−ψ) Space

(2010) Zhiwei Liu et al.   Journal of Chemical Theory and Computation

Simulating ligand-induced conformational changes in proteins using a mechanical disassembly method

(2010) Juan Cortés et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Prediction, determination and validation of phase diagrams via the global study of energy landscapes

(2009) J. C. Schön et al.   International Journal of Materials Research

Kinetics and reaction coordinate for the isomerization of alanine dipeptide by a forward flux sampling protocol

(2009) Camilo Velez-Vega et al.   JOURNAL OF CHEMICAL PHYSICS

Simulated Tempering Distributed Replica Sampling, Virtual Replica Exchange, and Other Generalized-Ensemble Methods for Conformational Sampling

(2009) Sarah Rauscher et al.   Journal of Chemical Theory and Computation

Forward flux sampling for rare event simulations

(2009) Rosalind J Allen et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Rapid Sampling of Molecular Motions with Prior Information Constraints

(2009) Barak Raveh et al.   PLoS Computational Biology

Free energy surfaces from an extended harmonic superposition approach and kinetics for alanine dipeptide

(2008) Birgit Strodel et al.   CHEMICAL PHYSICS LETTERS

Computational techniques for efficient conformational sampling of proteins

(2008) Adam Liwo et al.   CURRENT OPINION IN STRUCTURAL BIOLOGY

Efficient Algorithms to Explore Conformation Spaces of Flexible Protein Loops

(2008) P. Yao et al.   IEEE-ACM Transactions on Computational Biology and Bioinformatics

Temperature and Pressure Dependence of Alanine Dipeptide Studied by Multibaric−Multithermal Molecular Dynamics Simulations

(2008) Hisashi Okumura et al.   JOURNAL OF PHYSICAL CHEMISTRY B