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

Design of a potent and orally active nonpeptide platelet fibrinogen receptor (GPIIb/IIIa) antagonist.

delta-Lactams have been synthesized with excellent stereocontrol of substituents by condensing 3-alkenamides with aryl aldehydes in polyphosphoric ester. The scope of the condensation of 3-alkenamides with aryl aldehydes in several phosphate media is examined, and a rationale is proposed regarding gamma-lactam versus delta-lactam formation.

Stereoselective syntheses of substituted 5,6-dihydro-2(1H)-pyridinones in polyphosphate media

Calcium and magnesium binding to .gamma.-carboxyglutamate and .beta.-carboxyaspartate residues: structures of calcium and magnesium complexes of methylmalonic acid

A new condensation of 3-alkenamides with benzaldehyde in acidic media, notably polyphosphoric acid, leads to gamma-lactam rings with high regio- and stereocontrol. One such gamma-lactam was shown to undergo a novel and stereocontrolled ring-expansion to a delta-lactam.

Stereocontrolled construction of condensed gamma-lactam ring-systems by cationic cyclizations - rearrangement of a gamma-lactam to a delta-lactam

Key features of the synthetic route include preparation of a new γ-cation amino acid synthon and its use as an electrophile,the one pot conversion of methyl sulfide to the Cbz-protected amine via stereoselective sulfilimine rearrangement and chemoselective lactone ring opening in spiro lactam

Drake S. Eggleston

Papers

Design of a potent and orally active nonpeptide platelet fibrinogen receptor (GPIIb/IIIa) antagonist.

Stereoselective syntheses of substituted 5,6-dihydro-2(1H)-pyridinones in polyphosphate media

Calcium and magnesium binding to .gamma.-carboxyglutamate and .beta.-carboxyaspartate residues: structures of calcium and magnesium complexes of methylmalonic acid

Stereocontrolled construction of condensed gamma-lactam ring-systems by cationic cyclizations - rearrangement of a gamma-lactam to a delta-lactam

Enantiospecific synthesis of (-)-tabtoxinine .beta.-lactam