Computer Modelling of the Structures of Host-Guest Complexes
- 1 January 1992
- book chapter
- Published by Springer Nature
Abstract
No abstract availableKeywords
This publication has 47 references indexed in Scilit:
- Can the Lennard–Jones 6‐12 function replace the 10‐12 form in molecular mechanics calculations?Journal of Computational Chemistry, 1991
- Molecular mechanics analysis of the stereochemical factors influencing monofunctional and bifunctional binding of cis-diamminedichloroplatinum(II) to adenine and guanine nucleobases in the sequences d(GpApGpG).cntdot.d(CpCpTpC) and d(GpGpApG).cntdot.d(CpTpCpC) of A- and B-DNAInorganic Chemistry, 1991
- On the use of AM1 and MNDO wave functions to compute accurate electrostatic chargesJournal of Computational Chemistry, 1990
- Atomic charges derived from semiempirical methodsJournal of Computational Chemistry, 1990
- Comparative study of the molecular electrostatic potential obtained from different wavefunctions. Reliability of the semiempirical MNDO wavefunctionJournal of Computational Chemistry, 1990
- Semiempirical AM1 electrostatic potentials and AM1 electrostatic potential derived charges: A comparison with ab initio valuesJournal of Computational Chemistry, 1990
- Determination of approximate force field parametersComputers & Chemistry, 1989
- Modeling Complex Molecular Interactions Involving Proteins and DNAAnnals of the New York Academy of Sciences, 1986
- An empirical examination of potential-energy minimization using the well-determined structure of the protein crambinJournal of the American Chemical Society, 1986
- An all atom force field for simulations of proteins and nucleic acidsJournal of Computational Chemistry, 1986