Transferability of the -COOH...?OOC- dyad Geometry from the gas phase to crystals and proteins
- 1 January 1995
- journal article
- research article
- Published by Springer Nature in Theoretical Chemistry Accounts
- Vol. 90 (1) , 41-50
- https://doi.org/10.1007/bf01119781
Abstract
No abstract availableKeywords
This publication has 12 references indexed in Scilit:
- Computational studies on aspartic proteases. I. Active‐site protonation and hydration in the substrate‐free crystalline stateInternational Journal of Quantum Chemistry, 1992
- The nature of the hydrogen bond to water in the gas phaseChemical Society Reviews, 1992
- Catalytic pathway of serine proteases: classical and quantum mechanical calculationsJournal of the American Chemical Society, 1991
- Comparative study of imidazole hydration: Ab initio and electrostatic calculations vs. Cambridge structural database analysisJournal of Computational Chemistry, 1990
- Optimization of parameters for semiempirical methods I. MethodJournal of Computational Chemistry, 1989
- A model for the hydrogen-bond-length probability distributions in the crystal structures of small-molecule components of the nucleic acidsActa crystallographica Section B, Structural science, crystal engineering and materials, 1988
- Systematic analysis of structural data as a research technique in organic chemistryAccounts of Chemical Research, 1983
- Theoretical Conformational Analysis of Substituted PhenylbenzoatesMolecular Crystals and Liquid Crystals, 1982
- Carboxyl–carboxylate interactions in proteinsNature, 1982
- An efficient ab initio gradient programTheoretical Chemistry Accounts, 1979