Hyperhomocysteinemia/Homocysteinuria is characterized by an increased level of toxic
homocysteine in the plasma. The plasma concentration of homocysteine is 5–15 μmol/L in …

The conceptual basis for structure-based drug design was formulated 100 years ago by Emil
Fischer. 1 His" lock and key" hypothesis is a constantly recurring leitmotif in modern drug …

We have analysed the frequency with which potential hydrogen bond donors and acceptors
are satisfied in protein molecules. There are a small percentage of nitrogen or oxygen atoms …

Improved rational drug design methods are needed to lower the cost and increase the
success rate of drug discovery and development. Alchemical binding free energy …

1. The Fundamental Alternatives 2. The First Energy Source for Life (a) Exergonic pyrite
formation (b) The requirement of redox inhibition 3. Pyrite-Surface Bonding 4. Surface …

The central metabolic role of ATP has stimulated much interest in how it is formed using the
energy from oxidations or light. Considerations based on analogy to ATP formation in the …

We review insights from computational studies of affinities of ligands binding to proteins. The
power of structural biology is in translating knowledge of protein structures into insights …

Advances in molecular biology have had a dramatic impact on the drug discovery process.
1, 2 The ability to produce recombinant proteins of biological significance has greatly …

Ligand/protein binding (LPB) is a major topic in medicine, chemistry and biology. Since the
advent of computers, many scientists have put efforts in developing theoretical models that …

Protein-protein interaction sites in complexes of known structure are characterised using a
series of parameters to evaluate what differentiates them from other sites on the protein …