Contact Information

Welcome to Biomedical Informatics at USU

Uniformed Services University of the Health Sciences
Biomedical Informatics
4301 Jones Bridge Road
Bethesda, Maryland 20814-4799
Room G058J
(301) 295-3568 (phone)
(301) 295-3585 (fax)

Curriculum Vitae

Dr. Robert W. Williams, Associate Professor, Biomedical Informatics Department

Dr. Robert W. Williams

Associate Professor


  • Measurement of protein secondary structure and disorder using vibrational spectroscopy
  • Prediction of protein secondary structure and disorder)
  • Development of new methods and software for the basic investigation of the forces between atoms in the solid state and aqueous solutions of amino acids, peptides, and proteins; separation of the harmonic and anharmonic contributions to the potential energy of interactions; accurate inclusion of van der Waals forces in density functional theory (DFT) calculations; measurement of vibrational frequencies using Raman, FTIR, teraHertz, and inelastic neutron scattering, particularly at low frequencies, below 400 wavenumbers; accurate predictions of these vibrational frequencies and the associated RMS displacements of atoms using DFT. A poster describing our work is available here.


  • XSpectra
    A graphical program for estimating protein secondary structure from Raman and FTIR spectra, and a general program for manipulating vibrational spectra.
  • Clinical WebLog
    A web based database system for recording the diversity of the medical student third year clerkship patient/problem experience.
  • Vib
    A system of programs for analyzing experimental and theoretical vibrational spectra.

Selected Publications

RW Williams*, S Schlucker, and BS Hudson (2008) "Inelastic neutron scattering, Raman, vibrational analysis with anharmonic corrections, and scaled quantum mechanical force field for polycrystalline L-alanine", Chemical Physics 343 (2008) 1–18

RW Williams* and D Malhotra, (2006) "van der Waals corrections to density functional theory calculations: Methane, ethane, ethylene, benzene, formaldehyde, ammonia, water, PBE, and CPMD", Chemical Physics 327 (2006) 54–62

RW Williams*, I Bone, and AF Weir (2004) ''A Scaled Quantum Mechanical Force Field for the Alanyl-Alanine Zwitterion in Water based on Scale Factors for Alanine, Glycine, N-methylacetamide, Acetate, Formate, and Methylamine'', Journal of Molecular Structure 697 (2004) 81–95

RW Williams, I Bone, and AF Weir (2004) ''Complete experimental and calculated frequencies, potential energy distributions, scale factors, diagonal and selected interaction force constants for isotopomers of alanyl-alanine zwitterion in water, alanine, glycine, n-methylacetamide, acetate, formate, and methylamine'', J. Mol. Struct., These tables have been deposited with the British Library Lending Division (BLLD) as Supplementary Publication number SUP 26701, 92 pages.

RW Williams (2004) ''A scaled quantum mechanical force field and vibrational analysis for the gamma-glycine crystal polymorph: Hydrogen bond stretching modes observed'', J. Mol. Struct. (Theochem) 685 (2004) 101–107

K Gable, G Han, E Monaghan, D Bacikova, M Natarajan, RW Williams, and TM Dunn (2002) ''Mutations in the Yeast LCB1 and LCB2 Genes, Including Those Corresponding to the Hereditary Sensory Neuropathy Type I Mutations, Dominantly Inactivate Serine Palmitoyltransferase'', J. Biol. Chem. 277, 10194--10200.

Alan F Weir, Alfred H Lowrey, and Robert W Williams* (2001) ''Scaled Quantum Mechanical Force Field for Alanyl-Alanine Peptide in Solution'', Biopolymers, 58, 577-591.

KL Taylor, N Cheng, RW Williams, AC Steven, and RB Wickner* (1999) ''Prion domain initiation of amyloid formation in vitro from native Ure2p'', record: Science 283, 1339--1343.

Alan F Weir, Alfred H Lowrey, and Robert W Williams*, (1996) ''Transferable Scaled Quantum Mechanical Scale Factors for Alanine'', J. Mol. Struct. (Theochem), 362, 339-354.

AH Lowrey, and RW Williams* (1995) ''Computational and Spectroscopic Studies of Hydrated Molecules'', in Advances in Structure Research, Vol. 1, JAI Press, Greenwich, Connecticut

RW Williams (1994) ''Determination of Membrane Protein Secondary Structure Using Vibrational and CD Spectroscopies'' in Membrane Protein Structure: Experimental Approaches (Stephen White, ed.) Oxford University Press.

Quinn, T. P., Tweedy, N. B., Williams, R. W., Richardson, J. S. and Richardson, D. C. (1994) ''Betadoublet: De novo Design, synthesis and Characterization of a Novel beta-Sandwich Protein'', Proc. Nat. Acad. Sci. USA 91, 8747-8751.

RW Williams, VF Kalasinsky, and AH Lowrey (1993) ''Scaled Quantum Mechanical Force Field for cis- and trans-Glycine in Acidic Solution'', J. Mol. Struct. (Theochem) 281, 157-171.

AH Lowrey, VF Kalasinsky, and RW Williams (1993) ''Scaled Quantum Mechanical Force Field for Glycine in Basic Solution'', Struct. Chem., 4, 289-298.

D Juretic', BK Lee, N Trinajstic', and RW Williams (1993) ''Conformational Preference Functions for Predicting Helices in Membrane Proteins'', Biopolymers, 33, 255-273.

Jureti'c D, Williams RW (1991) "Protein Secondary Structure Preferences, Dependence on Medium Range Steric Interactions", J Math Chem 8,229-242.

RW Williams, JL Weaver, and AH Lowrey (1990) ''Relation Between Calculated Amide Frequencies and Solution Structure in Ala-X Peptides'', Biopolymers 30, 599-608.

RW Williams (1986) "Protein Secondary Structure Analysis Using Raman Amide I and Amide III Spectra", Methods in Enzymology: Enzyme Structure (C. H. W. Hirs and S. N. Timasheff, eds) vol. 130, pp. 311-331.

McClain RD, Daniels SB, Williams RW, Pardi A, Hecht M, Richardson JS, Richardson DC, Erickson BW, (1990) "Protein Engineering of Betabellins 9, 10, and 11, in Peptides: Chemistry and Biology", (J E Rivier and G R Marshall, eds) 682-684, ESCOM, Leiden.

Williams RW, Dunker AK (1981) "Determination of the Secondary Structure of Proteins from the Amide I Band of the Laser Raman Spectrum", J Mol Biol 152,783-813.

Williams RW, Cutrera T, Dunker AK, Peticolas WL (1980) "The Estimation of Protein Secondary Structure by Laser Raman Spectroscopy from the Amide III Intensity Distribution", FEBS Lett 115,306-308.