Molecular-Mechanics Modelling of Drug-DNA Structures; the Effects of Differing Dielectric Treatment on Helix Parameters and Comparison with a Fully Solvated Structural Model

A new force field for molecular mechanical simulation of nucleic acids and proteins

1984 • 4,553 citations

An all atom force field for simulations of proteins and nucleic acids

1986 • 3,388 citations

<scp>AMBER</scp>: Assisted model building with energy refinement. A general program for modeling molecules and their interactions

1981 • 1,120 citations

Structure of a B-DNA dodecamer

1981 • 908 citations

Reversible bending and helix geometry in a B-DNA dodecamer: CGCGAATTBrCGCG.

1982 • 626 citations

Molecular electrostatic potential of the nucleic acids

1981 • 408 citations

Treatment of electrostatic effects in macromolecular modeling

1989 • 350 citations

Calculations of chemical processes in solutions

1979 • 336 citations

The electrostatic potential of B‐DNA

1989 • 263 citations

Conformational and Helicoidal Analysis of 30 PS of Molecular Dynamics on the d(CGCGAATTCGCG) Double Helix: “Curves”, Dials and Windows

1989 • 216 citations

Dynamics of DNA Oligomers

1983 • 192 citations

Computer Simulation of DNA Double-helix Dynamics

1983 • 182 citations

The Flexibility of the Nucleic Acids: (II) The Calculation of Internal Energy and Applications to Mononucleotide Repeat DNA

1986 • 167 citations

A molecular dynamics simulation of double-helical B-DNA including counterions and water.

1985 • 145 citations

The structure of drug-deoxydinucleoside phosphate complex; generalized conformational behavior of intercalation complexes with RNA and DNA fragments

1980 • 135 citations

Sequence dependence of DNA conformational flexibility

1989 • 134 citations

Molecular dynamics simulations of d(C-G-C-G-A) X d(T-C-G-C-G) with and without "hydrated" counterions.

1985 • 128 citations

A Molecular Dynamics Computer Simulation of an Eight‐Base‐Pair DNA Fragment in Aqueous Solution: Comparison with Experimental Two‐Dimensional NMR Data^a

1986 • 119 citations

Studies of nucleotide conformations and interactions. The relative stabilities of double‐helical B‐DNA sequence isomers

1981 • 114 citations

An empirical examination of potential-energy minimization using the well-determined structure of the protein crambin

1986 • 102 citations

Molecular mechanics calculations of dA12·dT12 and of the curved molecule d(GCTCGAAAAA)4·d(TTTTTCGAGC)4

1987 • 70 citations

Prediction of DNA structure from sequence: A build‐up technique

1989 • 62 citations

A molecular model for proflavine--DNA intercalation

1988 • 55 citations

The Mass Spectra of Some Dialkylthiolsulfonates

1976 • 40 citations

On the role of uniform and mixed sugar puckers in DNA double-helical structures

1985 • 39 citations

An analysis of the sequence dependence of the structure and energy of A‐ and B‐DNA models using molecular mechannics

1983 • 28 citations