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The costs of production of alternative jet fuel: A harmonized stochastic assessment.
- Seamus J. Bann, R. Malina, +5 authors S. Barrett
- Engineering, Chemistry
- Bioresource technology
- 19 February 2017
This study quantifies and compares the costs of production for six alternative jet fuel pathways using consistent financial and technical assumptions. Uncertainty was propagated through the analysis… Expand
Flex ddG: Rosetta ensemble-based estimation of changes in protein-protein binding affinity upon mutation
Computationally modeling changes in binding free energies upon mutation (interface ΔΔG) allows large-scale prediction and perturbation of protein-protein interactions. Additionally, methods that… Expand
Life Cycle Greenhouse Gas Emissions and Costs of Production of Diesel and Jet Fuel from Municipal Solid Waste.
- P. Suresh, R. Malina, +5 authors S. Barrett
- Environmental Science, Medicine
- Environmental science & technology
- 5 October 2018
This paper quantifies and compares the life cycle GHG emissions and costs of production of diesel and jet fuel derived from municipal solid waste (MSW) in the United States via three thermochemical… Expand
Flex ddG: Rosetta Ensemble-Based Estimation of Changes in Protein-Protein Binding Affinity upon Mutation.
- Kyle A. Barlow, Shane Ó Conchúir, +4 authors T. Kortemme
- Medicine, Chemistry
- The journal of physical chemistry. B
- 5 February 2018
Computationally modeling changes in binding free energies upon mutation (interface ΔΔ G) allows large-scale prediction and perturbation of protein-protein interactions. Additionally, methods that… Expand
Structure‐based simulations reveal concerted dynamics of GPCR activation
G protein‐coupled receptors (GPCRs) are a vital class of proteins that transduce biological signals across the cell membrane. However, their allosteric activation mechanism is not fully understood;… Expand
The Spindle: Integrating Architecture and Mechanics across Scales.
The spindle segregates chromosomes at cell division, and its task is a mechanical one. While we have a nearly complete list of spindle components, how their molecular-scale mechanics give rise to… Expand
Aviation CO2 emissions reductions from the use of alternative jet fuels
Abstract Although a relatively small contributor to annual anthropogenic CO2 emissions (~2.6%), commercial aviation activity is growing at ~5% per annum. As a result, alternative jet fuel (AJF)… Expand
Extending chemical perturbations of the ubiquitin fitness landscape in a classroom setting reveals new constraints on sequence tolerance
ABSTRACT Although the primary protein sequence of ubiquitin (Ub) is extremely stable over evolutionary time, it is highly tolerant to mutation during selection experiments performed in the… Expand
Congenital Pulmonary Airway Malformation – 19-Year Experience from a Tertiary Care Center in India
Abstract Background: Congenital pulmonary airway malformation (CPAM) is a collection of non-hereditary, developmental anomalies. Our aim was to analyze the histological profiles and prevalence of… Expand
qFit-ligand Reveals Widespread Conformational Heterogeneity of Drug-Like Molecules in X-Ray Electron Density Maps.
- G. V. van Zundert, B. M. Hudson, +8 authors H. van den Bedem
- Journal of medicinal chemistry
Proteins and ligands sample a conformational ensemble that governs molecular recognition, activity, and dissociation. In structure-based drug design, access to this conformational ensemble is… Expand