Inclusion of ionic interactions in force field calculations of charged biomolecules – DNA structural transitions

<scp>CHARMM</scp>: A program for macromolecular energy, minimization, and dynamics calculations

1983 • 14,615 citations

Principles of Nucleic Acid Structure

2008 • 4,570 citations

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

1984 • 4,553 citations

An Introduction to Statistical Thermodynamics

1961 • 2,250 citations

Exact Solution of the Percus-Yevick Integral Equation for Hard Spheres

1963 • 1,709 citations

Energy parameters in polypeptides. VII. Geometric parameters, partial atomic charges, nonbonded interactions, hydrogen bond interactions, and intrinsic torsional potentials for the naturally occurring amino acids

1975 • 1,532 citations

Equilibrium Theory of Simple Liquids

1972 • 1,332 citations

Salt-induced co-operative conformational change of a synthetic DNA: Equilibrium and kinetic studies with poly(dG-dC)

1972 • 1,213 citations

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

1981 • 1,120 citations

The structure of an oligo(dA)·oligo(dT) tract and its biological implications

1987 • 975 citations

Optimised parameters for A-DNA and B-DNA

1972 • 971 citations

Structure of a B-DNA dodecamer

1981 • 908 citations

Method for estimating the configurational entropy of macromolecules

1981 • 831 citations

A bifurcated hydrogen-bonded conformation in the d(A.T) base pairs of the DNA dodecamer d(CGCAAATTTGCG) and its complex with distamycin.

1987 • 671 citations

Statistical Mechanics

1977 • 650 citations

Left-Handed Double Helical DNA: Variations in the Backbone Conformation

1981 • 571 citations

Mean Spherical Model Integral Equation for Charged Hard Spheres I. Method of Solution

1972 • 499 citations

DNA conformation is determined by economics in the hydration of phosphate groups

1986 • 438 citations

Optimized Cluster Expansions for Classical Fluids. I. General Theory and Variational Formulation of the Mean Spherical Model and Hard Sphere Percus-Yevick Equations

1972 • 435 citations

Sequence dependence of the helical repeat of DNA in solution

1981 • 320 citations

Mean Spherical Model Integral Equation for Charged Hard Spheres. II. Results

1972 • 286 citations

Numerical Solutions of the Percus—Yevick Equation for the Hard-Sphere Potential

1965 • 253 citations

Analysis of the Contribution of Internal Vibrations to the Statistical Weights of Equilibrium Conformations of Macromolecules

1969 • 219 citations

Heteronomous DNA

1983 • 213 citations

Monte Carlo values for the radial distribution function of a system of fluid hard spheres

1971 • 209 citations

Poly(dA)ṁpoly(dT) is a B-type double helix with a distinctively narrow minor groove

1987 • 203 citations

AT base pairs are less stable than GC base pairs in Z-DNA: The crystal structure of d(m5CGTAm5CG)

1984 • 202 citations

A method of unconstrained global optimization

1970 • 201 citations

Dynamics of DNA Oligomers

1983 • 192 citations

Computer Simulation of DNA Double-helix Dynamics

1983 • 182 citations

Optimized Cluster Expansions for Classical Fluids. III. Applications to Ionic Solutions and Simple Liquids

1972 • 130 citations

Ordered Water Structure in an A-DNA Octamer at 1.7Å Resolution

1986 • 121 citations

Introduction to Statistical Thermodynamics

1967 • 104 citations

Statistical mechanics of the B----Z transition of DNA: contribution of diffuse ionic interactions.

1984 • 97 citations

Characteristics and variations of B-type DNA conformations in solutions: a quantitative analysis of Raman band intensities of eight DNAs

1986 • 83 citations

Salt-induced Transition between Two Double-helical Forms of Oligo(dC-dG)

1983 • 71 citations

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

1987 • 70 citations

The poly dA strand of poly dA.poly dT adopts an A-form in solution: a UV resonance Raman study

1985 • 67 citations

Exact analytical formulas for the distribution functions of charged hard spheres in the mean spherical approximation

1978 • 66 citations

Molecular‐mechanical studies of Z‐DNA: A comparison of the structural and energetic properties of Z‐ and B‐DNA

1982 • 61 citations

Infrared and Raman studies show that poly(dA).cntdot.poly(dT) and d(AAAAATTTTT)2 exhibit a heteronomous conformation in films at 75% relative humidity and a B-type conformation at high humidities and in solution

1987 • 59 citations

Transition from B to Z DNA: Contribution of Internal Fluctuations to the Configurational Entropy Difference

1985 • 59 citations

Untenability of the Heteronomous DNA Model for Poly(dA) · Poly(dT) in Solution. This DNA Adopts a Right-Handed B-DNA Duplex in Which the Two Strands are Conformationally Equivalent. A 500 MHz NMR Study Using One Dimensional NOE

1985 • 52 citations

Structure of the α-form of poly[d(A)] · poly[d(T)] and related polynucleotide duplexes

1987 • 52 citations

Relative Stabilities and Transitions of DNA Conformations in 1:1 Electrolytes: A Theoretical Study

1987 • 50 citations

Harmonic vibrations and thermodynamic stability of a DNA oligomer in monovalent salt solution.

1989 • 45 citations

Coupling Between (<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mi>d</mml:mi><mml:mo>,</mml:mo><mml:mi> </mml:mi><mml:mi>p</mml:mi></mml:math>) and (<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mi>d</mml:mi><mml:mo>,</mml:mo><mml:mi> </mml:mi><mml:mi>n</mml:mi></mml:math>) Channels and the Spectroscopic Factor in (<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mi>d</mml:mi><mml:mo>,</mml:mo><mml:…

1967 • 38 citations

Solvent distribution in crystals of B- and Z-Oligomers

1985 • 37 citations

B‐Z DNA conformational transition in 1:1 electrolytes: dependence upon counterion size

1987 • 37 citations

DNA Curvature

1987 • 35 citations

Polarized raman scattering from oriented single microcrystals of d(A₅T₅)₂ and d(pTpT)

1988 • 30 citations

Unique poly(dA) poly(dT) B'-conformation in cellular and synthetic DNAs

1987 • 30 citations

Structural molecular biology : methods and applications

1982 • 27 citations

Salt Dependence of DNA Structural Stabilities in Solution. Theoretical Predictions Versus Experiments

1988 • 21 citations

Salt-induced Z-A-Z transition sequence in the mixed ribo-deoxyribo copolymer poly(rG-dC) X poly(rG-dC).

1984 • 20 citations

Molecular mechanics and dynamics calculations on (dA)10.cntdot.(dT)10 incorporating distance constraints derived from NMR relaxation measurements

1987 • 19 citations

Vacuum UV CD of the low‐salt Z‐forms of poly(rG‐dC)·poly(rG‐dC), and poly(dG‐m⁵dC)·poly(dG‐m⁵dC)

1986 • 12 citations