James W. Caldwell

Physics and Astronomy · Physical Sciences

22h-index43.0kcitations39works0.02yr avg
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Research Topics

Advanced Chemical Physics Studies(9), Protein Structure and Dynamics(9), Spectroscopy and Quantum Chemical Studies(9), DNA and Nucleic Acid Chemistry(8), Enzyme Structure and Function(6)

Publications39 total

The Place of God's Presence: A Biblical Theology of 1 Timothy
2017
In Memoriam
Baylor University Medical Center Proceedings·2008
In Memoriam
Baylor University Medical Center Proceedings·2007
Using Hoechst 33342 to Target Radioactivity to the Cell Nucleus
Radiation Research·2007· 30 cited
New-Generation Amber United-Atom Force Field
The Journal of Physical Chemistry B·2006· 197 cited
Junmei Wang, Romain M. Wolf, James W. Caldwell, Peter A. Kollman, and David A. Case, "Development and testing of a general amber force field"<i>Journal of Computational Chemistry</i>(2004) 25(9) 1157–1174
Journal of Computational Chemistry·2004· 249 cited
Development and testing of a general amber force field
Journal of Computational Chemistry·2004· 18.9k cited
A point‐charge force field for molecular mechanics simulations of proteins based on condensed‐phase quantum mechanical calculations
Journal of Computational Chemistry·2003· 4.4k cited
Molecular mechanical models for organic and biological systems going beyond the atom centered two body additive approximation: aqueous solution free energies of methanol and N‐methyl acetamide, nucleic acid base, and amide hydrogen bonding and chloroform/water partition coefficients of the nucleic acid bases
Journal of Computational Chemistry·2001· 442 cited
<scp>AMBER</scp>: A Program for Simulation of Biological and Organic Molecules
Encyclopedia of Computational Chemistry·1998· 6 cited
A Second Generation Force Field for the Simulation of Proteins, Nucleic Acids, and Organic Molecules <i>J</i>. <i>Am</i>. <i>Chem</i>. <i>Soc</i>. <b>1995</b>, <i>117</i>, 5179−5197
Journal of the American Chemical Society·1996· 539 cited
Investigating the Anomalous Solvation Free Energies of Amines with a Polarizable Potential
The Journal of Physical Chemistry·1996· 54 cited
AMBER, a package of computer programs for applying molecular mechanics, normal mode analysis, molecular dynamics and free energy calculations to simulate the structural and energetic properties of molecules
Computer Physics Communications·1995· 3.1k cited
Molecular Dynamics and Free Energy Perturbation Study of Spherand Complexation with Metal Ions Employing Additive and Nonadditive Force Fields
The Journal of Physical Chemistry·1995· 22 cited
A Second Generation Force Field for the Simulation of Proteins, Nucleic Acids, and Organic Molecules
Journal of the American Chemical Society·1995· 13.1k cited
Cation-.pi. Interactions: Nonadditive Effects Are Critical in Their Accurate Representation
Journal of the American Chemical Society·1995· 307 cited
Structure and Properties of Neat Liquids Using Nonadditive Molecular Dynamics: Water, Methanol, and N-Methylacetamide
The Journal of Physical Chemistry·1995· 479 cited
Accurate Solvation Free Energies of Acetate and Methylammonium Ions Calculated with a Polarizable Water Model
Journal of the American Chemical Society·1994· 42 cited
Protein Structure Prediction with a Combined Solvation Free Energy-Molecular Mechanics Force Field
Molecular Simulation·1993· 74 cited
Ab initio calculations on aquated chloride (Cl-(H2O)14) clusters: comparison with the results from molecular dynamics simulations
The Journal of Physical Chemistry·1992· 27 cited
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Frequent Co-authors

Peter A. Kollman(25), Mark S. Gordon(7), Piotr Cieplak(6), Junmei Wang(4), David A. Case(4), David M. Ferguson(4), George Seibel(3), Celia A. Schiffer(3), Romain M. Wolf(2), Wendy D. Cornell(2), Christopher I. Bayly(2), Ian R. Gould(2), Kenneth M. Merz(2), David C. Spellmeyer(2), Thomas Fox(2), Yong Duan(2), Ray Luo(2), David A. Pearlman(2), Wilson S. Ross(2), Thomas E. Cheatham(2)