Dr. Robert W. Williams

Associate Professor, Department of Biomedical Informatics, USUHS
4301 Jones Bridge Road, Bethesda, MD 20814
Office: G58J, Phone (301) 295-3568

Curriculum Vitae




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.


A system of programs for analyzing experimental and theoretical vibrational spectra.

Selected Publications:

RW Williams, B Xue, VN Uversky, and AK Dunker (2013), ``Distribution and Cluster Analysis of predicted intrinsically disordered protein Pfam domains'', Intrinsically Disordered Proteins, 34 pages, (in press).

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.