https://users.cs.duke.edu/~brd/Teaching/Bio/asmb/current/Papers/Lit4Docking/Gold_dock.pdf

Development and validation of a genetic algorithm for flexible docking.

https://cyberleninka.org/article/n/148766.pdf

Cytochrome P450 enzymes in drug metabolism: Regulation of gene expression, enzyme activities, and impact of genetic variation

1. Setting the Scope of the Challenge 6474 1.1. The Need for Solar Energy Supply and Storage 6474 1.2. An Imperative for Discovery Research 6477 1.3. Scope of Review 6478 2. Large-Scale Centralized Energy Storage 6478 2.1. Pumped Hydroelectric Energy Storage (PHES) 6479 2.2. Compressed Air Energy Storage (CAES) 6480 3. Smaller Scale Grid and Distributed Energy Storage 6481 3.1. Flywheel Energy Storage (FES) 6481 3.2. Superconducting Magnetic Energy Storage 6482 4. Chemical Energy Storage: Electrochemical 6482 4.1. Batteries 6482 4.1.1. Lead-Acid Batteries 6483 4.1.2. Alkaline Batteries 6484 4.1.3. Lithium-Ion Batteries 6484 4.1.4. High-Temperature Sodium Batteries 6484 4.1.5. Liquid Flow Batteries 6485 4.1.6. Metal-Air Batteries 6485 4.2. Capacitors 6485 5. Chemical Energy Storage: Solar Fuels 6486 5.1. Solar Fuels in Nature 6486 5.2. Artificial Photosynthesis and General Considerations of Water Splitting 6486

Solar Energy Supply and Storage for the Legacy and Nonlegacy Worlds

▪ Abstract Proton-coupled electron transfer (PCET) is an important mechanism for charge transfer in a wide variety of systems including biology- and materials-oriented venues. We review several are...

/pdf/proton-coupled-electron-transfer-3oyvp0w9qd.pdf

Proton-Coupled Electron Transfer

A nuclear magnetic resonance (NMR)-based method is described in which small organic molecules that bind to proximal subsites of a protein are identified, optimized, and linked together to produce high-affinity ligands. The approach is called "SAR by NMR" because structure-activity relationships (SAR) are obtained from NMR. With this technique, compounds with nanomolar affinities for the FK506 binding protein were rapidly discovered by tethering two ligands with micromolar affinities. The method reduces the amount of chemical synthesis and time required for the discovery of high-affinity ligands and appears particularly useful in target-directed drug research.

https://science.sciencemag.org/content/sci/274/5292/1531.full.pdf

Discovering High-Affinity Ligands for Proteins: SAR by NMR

A novel synthetic approach to heterocycles containing the imidazole moiety based on the multihetero-Cope rearrangement is described. Oximes are reacted with benzenecarboximidoyl chlorides 4 affording adducts that readily undergo the hetero-Cope rearrangement at slightly elevated temperatures. Acid treatment of the resulting amidines 8 provides imidazoles in very high yields

Synthesis of Imidazoles via Hetero‐Cope Rearrangements.

Metal‐Assisted Aldol Condensation of Chiral α‐Halogenated Imide Enolates: A Stereocontrolled Chiral Epoxide Synthesis.

/pdf/structures-of-five-trans-2-hydroxy-and-trans-2-methoxy-2-12lny4z5de.pdf

Structures of Five trans-2-Hydroxy and trans-2-Methoxy-2-methyl-3,4-dihydro-4-aryl- 2H,5H-pyrano(3,2-c)benzopyran-5-ones

The crystal structure of the acidic dipeptide o-Lglutamyl-L-glutamic acid, ct-L-Glu-L-GIu, C IoH16N20 7, has been determined from three-dimensional X-ray diffractometer data. The dipeptide crystallizes in the space group P2~ of the monoclinic system with two formula units in a cell of dimensions a = 5.343 (2), b = 7.141 (4), c = 15.944 (6) 1t, fl --- 90.11 (3) ° with V = 608.38 A 3, D c = 1.508, D O = 1.51 (1) g cm -3 and ~ = 1.38 cm-L The structure was solved by direct methods and refined by least-squares techniques to a final value of the weighted R factor (on F) of 0.050 based on 1632 independent intensities with I ___ 2tr(I). The dipeptide occurs as a zwitterion in the crystal, with the amino terminus protonated and the main-chain carboxyl group deprotonated. The two Glu side chains are on opposite sides of the backbone, and the structure is extended. The peptide linkage is significantly nonplanar, the co torsional angle being 167.6 ° . There is extensive intermolecular hydrogen bonding in the crystals, but no intramolecular hydrogen bonding.

Drake S. Eggleston

Papers

Synthesis of Imidazoles via Hetero‐Cope Rearrangements.

Metal‐Assisted Aldol Condensation of Chiral α‐Halogenated Imide Enolates: A Stereocontrolled Chiral Epoxide Synthesis.

Structures of Five trans-2-Hydroxy and trans-2-Methoxy-2-methyl-3,4-dihydro-4-aryl- 2H,5H-pyrano(3,2-c)benzopyran-5-ones

Conformation and Structure of ~-L-GlutamyI-L-glutamie Acid

Heteroarylation of 6-Aryl-2,3-dihydroimidazo[2,1-b]thiazole with N-(Ethoxycarbonyl)heteroaromatic Salts†