Secondary structure analysis of peptides with relevance to iron–sulfur cluster nesting

Tinker-HP: a massively parallel molecular dynamics package for multiscale simulations of large complex systems with advanced point dipole polarizable force fields

(2018) Louis Lagardère et al.   Chemical Science

Destruction and reformation of an iron-sulfur cluster during catalysis by lipoyl synthase

(2017) Erin L. McCarthy et al.   SCIENCE

Protein Ensembles: How Does Nature Harness Thermodynamic Fluctuations for Life? The Diverse Functional Roles of Conformational Ensembles in the Cell

(2016) Guanghong Wei et al.   CHEMICAL REVIEWS

Truncated Conjugate Gradient: An Optimal Strategy for the Analytical Evaluation of the Many-Body Polarization Energy and Forces in Molecular Simulations

(2016) Félix Aviat et al.   Journal of Chemical Theory and Computation

Advanced Potential Energy Surfaces for Molecular Simulation

(2016) Alex Albaugh et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Characterizing Energy Landscapes of Peptides Using a Combination of Stochastic Algorithms

(2015) Didier Devaurs et al.   IEEE TRANSACTIONS ON NANOBIOSCIENCE

Radical S-Adenosylmethionine Enzymes

(2014) Joan B. Broderick et al.   CHEMICAL REVIEWS

Prebiotic Systems Chemistry: New Perspectives for the Origins of Life

(2013) Kepa Ruiz-Mirazo et al.   CHEMICAL REVIEWS

Empirical and computational design of iron-sulfur cluster proteins

(2012) Joanna Grzyb et al.   BIOCHIMICA ET BIOPHYSICA ACTA-BIOENERGETICS

Mineral–organic interfacial processes: potential roles in the origins of life

(2012) H. James Cleaves II et al.   CHEMICAL SOCIETY REVIEWS

Structural Insights into Radical Generation by the Radical SAM Superfamily

(2011) Jessica L. Vey et al.   CHEMICAL REVIEWS

Revisiting the Ramachandran plot from a new angle

(2011) Alice Qinhua Zhou et al.   PROTEIN SCIENCE

Functional Capabilities of the Earliest Peptides and the Emergence of Life

(2011) E. James Milner-White et al.   Genes

Revisiting the Ramachandran plot: Hard-sphere repulsion, electrostatics, and H-bonding in the α-helix

(2003) Bosco K. Ho et al.   PROTEIN SCIENCE