D. Deerfield

发表

GeneDoc: Analysis and visualization of genetic variation

K. Nicholas, H. Nicholas, D. Deerfield, 1997 .

The emerging science of very early detection of disease outbreaks.

Dean F. Sittig, Marek J Druzdzel, D. Fridsma, 2001, Journal of public health management and practice : JPHMP.

PM3‐compatible zinc parameters optimized for metalloenzyme active sites

K. Merz, D. Deerfield, D. Suárez, 2004, J. Comput. Chem..

The electronic structure of dodecahedrane and the nature of the central cavity

D. Deerfield, D. Dixon, G. D. Graham, 1981 .

A quantum chemical study of the mechanism of action of Vitamin K carboxylase (VKC) III. Intermediates and transition states.

L. Pedersen, D. Deerfield, D. Stafford, 2007, Journal of molecular graphics & modelling.

Overview Strategies for Searching Sequence Database s

H. Nicholas, D. Deerfield, Alexander J. Ropelewsk, 2000 .

Synthesis of a gamma-carboxyglutamic acid containing heptapeptide corresponding to bovine prothrombin residues 17-23.

L. Pedersen, D. Deerfield, R. Hiskey, 2009, International journal of peptide and protein research.

A quantum chemical study of the mechanism of action of Vitamin K epoxide reductase (VKOR) II. Transition states.

L. Pedersen, D. Deerfield, D. Stafford, 2007, Journal of molecular graphics & modelling.

Quantum chemical study of the mechanism of action of vitamin K epoxide reductase (VKOR)

L. Pedersen, D. Deerfield, D. Stafford, 2006 .

Classification of the Environment of Protein Residues

Amanda M. Holland-Minkley, H. Nicholas, D. Deerfield, 1997, Journal of protein chemistry.

Calcium ion binding to human and bovine factor X.

L. Pedersen, D. Deerfield, R. Hiskey, 1990, Blood coagulation & fibrinolysis : an international journal in haemostasis and thrombosis.

AN AB INITIO QUANTUM MECHANICAL STUDY OF THIOESTERS

D. Deerfield, L. Pedersen, 1995 .

Enol and deprotonated forms of acetic and malonic acid

L. Pedersen, D. Deerfield, 1996 .

Effect of calcium (II) and magnesium (II) ions on the 18-23 gamma-carboxyglutamic acid containing cyclic peptide loop of bovine prothrombin. An AMBER molecular mechanics study.

T. Darden, L. Pedersen, D. Deerfield, 2009, International journal of peptide and protein research.

Implementation of Genetic Sequence Alignment Programs on Supercomputers

Hugh B. Nicholas, Alexander Ropelewski, David W. Deerfield, 1997, The Journal of Supercomputing.

The first solvation shell of magnesium ion in a model protein environment with formate, water, and X‐NH3, H2S, imidazole, formaldehyde, and chloride as ligands: An ab initio study

L. Pedersen, M. Head‐Gordon, D. Deerfield, 1995, Proteins.

The first solvation shell of magnesium and calcium ions in a model nucleic acid environment: an ab initio study.

L. Pedersen, D. Deerfield, 1995, Journal of biomolecular structure & dynamics.

Software Development GeneDoc Analysis and Visualization of Genetic Variation

David W. Deerfield, Hugh B. Nicholas, K. Nicholas, 1997 .

Models for protein–zinc ion binding sites. II. The catalytic sites*

Lee G. Pedersen, Charles W. Carter, David W. Deerfield, 2001 .

Salt or ion bridges in biological system: A study employing quantum and molecular mechanics

L. Pedersen, H. Nicholas, D. Deerfield, 1989, Proteins.

Mathematically Complete Nucleotide and Protein Sequence Searching Using Ssearch

Hugh B Nicholas, Alexander J Ropelewski, David W Deerfield, 2003, Current protocols in bioinformatics.

Strategies for multiple sequence alignment.

Hugh B Nicholas, Alexander J Ropelewski, David W Deerfield, 2002, BioTechniques.

Mechanistic implications of the cysteine-nicotinamide adduct in aldehyde dehydrogenase based on quantum mechanical/molecular mechanical simulations.

D. Deerfield, J. Hempel, T. Wymore, 2007, Biochemistry.

A Metric Measure for Comparing Sequence Alignments

David W. Deerfield, Alexander J. Ropelewski, Hugh B. Nicholas, 1995 .

Adventures in Improving the Scaling and Accuracy of a Parallel Molecular Dynamics Program

Thomas A. Darden, Michael Crowley, Thomas E. Cheatham, 1997, The Journal of Supercomputing.

Molecular recognition of aldehydes by aldehyde dehydrogenase and mechanism of nucleophile activation

Alexander D. MacKerell, Troy Wymore, Hugh B Nicholas, 2004, Proteins.

Initial catalytic events in class 3 aldehyde dehydrogenase: MM and QM/MM simulations.

M. Field, H. Nicholas, D. Deerfield, 2003, Chemico-biological interactions.

Evaluation of prostate tumor grades by content-based image retrieval

John R. Gilbertson, Lei Zheng, Sun Jin Kim, 1999, Other Conferences.

Determination of magnesium binding to macromolecules.

L. Pedersen, D. Deerfield, R. Hiskey, 1987, Analytical biochemistry.

The role of hydrated divalent metal ions in the bridging of two anionic groups. An ab initio quantum chemical and molecular mechanics study of dimethyl phosphate and formate bridged by calcium and magnesium ions.

L. Pedersen, D. Deerfield, R. Hiskey, 1989, Journal of biomolecular structure & dynamics.

Structure and relative acidity for a model zinc finger

L. Pedersen, D. Deerfield, 1997 .

INteraction of calcium and magnesium ions with malonate and the role of the waters of hydration. A quantum mechanical study

L. Pedersen, M. Head‐Gordon, D. Deerfield, 1991 .

Relative affinity of Ca(II) and Mg(II) ions for human and bovine prothrombin and fragment 1.

L. Pedersen, D. Deerfield, R. Hiskey, 1987, Biochemical and biophysical research communications.

Mg(II) binding by bovine prothrombin fragment 1 via equilibrium dialysis and the relative roles of Mg(II) and Ca(II) in blood coagulation.

L. Pedersen, D. Deerfield, R. Hiskey, 1987, The Journal of biological chemistry.

The effect of divalent metal ions on the electrophoretic mobility of bovine prothrombin and bovine prothrombin fragment 1.

L. Pedersen, D. Deerfield, R. Hiskey, 1986, Journal of Biological Chemistry.

Chemical modification of bovine prothrombin fragment 1 in the presence of Tb3+ ions. Sequence studies on 3-gamma-MGlu-fragment.

L. Pedersen, D. Deerfield, R. Hiskey, 1988, The Journal of biological chemistry.

Chemical modification of bovine prothrombin fragment 1 in the presence of Tb3+ ions.

L. Pedersen, D. Deerfield, R. Larson, 1986, The Journal of biological chemistry.

Side-chain interactions between arginine and .gamma.-carboxyglutamic acid. Studies on decarboxylation of .gamma.-carboxyglutamic acid in the presence of guanidine

A. L. Gray, D. Deerfield, R. Hiskey, 1985 .

The interaction of Na(I), Ca(II), and Mg(II) metal ions with duplex DNA: A theoretical modeling study

T. Darden, L. Pedersen, D. York, 1992 .

Parallel ab initio and molecular mechanics investigation of polycoordinated Zn(II) complexes with model hard and soft ligands: Variations of binding energy and of its components with number and charges of ligands

Nohad Gresh, Lee G. Pedersen, Gilles Tiraboschi, 2000, J. Comput. Chem..

A theoretical study of the effect of methylation or ethylation at O6-guanine in the structure and energy of DNA double strands.

T. Darden, L. Pedersen, D. Deerfield, 1988, Carcinogenesis.

Generation of potential structures for the G‐domain of chloroplast EF‐Tu using comparative molecular modeling

L. Pedersen, D. Deerfield, L. Spremulli, 1990, Proteins.

Relative spectral response as a function of sequential ligand binding.

T. Darden, L. Pedersen, D. Deerfield, 1986, Biochemical and biophysical research communications.