Jeremy C Smith Governor's Chair and Director, UT-ORNL Center for Molecular Biophysics Contact smithjc@ornl.gov | 865.574.9635 All Publications de Gennes Narrowing Describes the Relative Motion of Protein Domains... Coarse-Grain Model for Natural Cellulose Fibrils in Explicit Water... Mercury Methylation by HgcA: Theory Supports Carbanion Transfer to Hg(II)... Chemical factors that control lignin polymerization... Eppur Si Muove! The 2013 Nobel Prize in Chemistry... Dynamic neutron scattering from conformational dynamics. I. Theory and Markov models... Dynamic neutron scattering from conformational dynamics. II. Application using molecular dynamics simulation and Markov model... Impact of Resistance Mutations on Inhibitor Binding to HIV-1 Integrase... Long-Time Mean Square Displacements in Proteins... Soft Collective Fluctuations Governing Hydrophobic Association... Ab Initio Study of Molecular Interactions in Cellulose Iα... Simulation of a cellulose fiber in ionic liquid suggests a synergistic approach to dissolution... Catalytic mechanism and origin of high activity of cellulase TmCel12A at high temperature: a quantum mechanical/molecular mec... Solvent-Driven Preferential Association of Lignin with Regions of Crystalline Cellulose in Molecular Dynamics Simulation... Why mercury prefers soft ligands... Zaccai neutron resilience and site-specific hydration dynamics in a globular protein... VinaMPI: Facilitating multiple receptor high-throughput virtual docking on high-performance computers... The Genetic and Enzymatic Basis of Bacterial Mercury Methylation... Three Entropic Classes of Side Chain in a Globular Protein... GROMACS 4.5: a high-throughput and highly parallel open source molecular simulation toolkit... Cluster-Continuum Calculations of Hydration Free Energies of Anions and Group 12 Divalent Cations... Elastic and Conformational Softness of a Globular Protein... Alteration of Water Structure by Peptide Clusters Revealed by Neutron Scattering in the Small-Angle Region (below 1 Å^−1)... Down-regulation of the Caffeic acid O-methyltransferase Gene in Switchgrass Reveals a Novel Monolignol Analog... REACH Coarse-Grained Simulation of a Cellulose Fiber... Pagination First page « First Previous page ‹‹ … Page 7 Current page 8 Page 9 … Next page ›› Last page Last » Key Links ORCID Organizations Biological and Environmental Systems Science Directorate Biosciences Division