CHBC Faculty Publications

Browse all authors | Browse all journals

Author: Cao, Ming

Filter by publication type
TitlePublication NamePub. TypeYear
Conformational geometry functions: additivity and cooperative effectsJournal of Molecular StructureJournal Article1997
Phi/Psi-Torsional dependence of peptide backbone bond-lengths and bond-angles: Comparison of crystallographic and calculated parametersJournal of Molecular StructureJournal Article1997
Predictions of peptide and protein backbone structural parameters from first principles .4. Systematic comparisons of calculated N-C(alpha)-C' angles with peptide crystal structuresElectronic Journal of Theoretical ChemistryJournal Article1996
Predictions of Protein Backbone Bond Distances and Angles from 1st PrinciplesAbstracts of Papers of the American Chemical SocietyAbstract1995
Predictions of Protein Backbone Bond Distances and Angles from First PrinciplesBiopolymersJournal Article1995
Predictions of Protein Backbone Structural Parameters from First Principles - Systematic Comparisons of Calculated N-C(Alpha)-C' Angles with High-Resolution Protein Crystallographic ResultsJournal of Physical ChemistryJournal Article1995
Predictions of Protein Backbone Bond Distances and Angles from First PrinciplesJournal of Molecular Structure-TheochemJournal Article1995
Ab-Initio Conformational-Analysis of Alanine.Journal of Molecular Structure-TheochemJournal Article1995
An Investigation into Intramolecular Hydrogen-Bonding - Impact of Basis-Set and Electron Correlation on the Ab-Initio Conformational-Analysis of 1,2-Ethanediol and 1,2,3-PropanetriolJournal of Molecular Structure-TheochemJournal Article1994
Basis-Set Influence in Ab-Initio Calculations - the Case of 2-Aminoethanol and N-Formylproline AmideJournal of Molecular Structure-TheochemJournal Article1994
Tautomeric Equilibria of 3-Hydroxypyrazole in the Gas-Phase and in Solution - a Theoretical-Study Combining Ab-Initio Quantum-Mechanics and Monte-Carlo Simulation MethodsJournal of Physical ChemistryJournal Article1994
Ab-Initio Mia and Molecular Mechanics Studies of the Distorted Sucrose Linkage of RaffinoseJournal of the American Chemical SocietyJournal Article1994
Investigation of Electron Correlation-Effects on Molecular GeometriesJournal of Molecular Structure-TheochemJournal Article1994
Evaluation of the Dipeptide Approximation in Peptide Modeling by Abinitio Geometry Optimizations of OligopeptidesJournal of the American Chemical SocietyJournal Article1993
Conformational-Analysis and Structural Study by Ab-Initio Gradient Geometry Optimizations of the Model Tripeptide N-Formyl L-Alanyl L-Alanine AmideJournal of Molecular Structure-TheochemJournal Article1993
Electron Correlation-Effects in Aliphatic Nonbonded Interactions - Comparison of N-Alkane Mp2 and Hf GeometriesJournal of Molecular Structure-TheochemJournal Article1993
Characteristic Aspects of Gg Sequences and the Importance of Constitutional Properties for Conformational EntropiesJournal of Molecular Structure-TheochemJournal Article1993