Wendy Cornell  Wendy Cornell photo       

contact information

Drug Discovery Strategy Lead, Manager Drug Discovery Technologies, PRSM, Healthcare and Life Science Research
Thomas J. Watson Research Center, Yorktown Heights, NY USA
  +1dash914dash945dash3359

links

Professional Associations

Professional Associations:  American Chemical Society

more information

More information:  LinkedIn profile  |  Google Scholar profile


2016

Role of chronic toxicology studies in revealing new toxicities
Galijatovic-Idrizbegovic, Alema and Miller, Judith E and Cornell, Wendy D and Butler, James A and Wollenberg, Gordon K and Sistare, Frank D and DeGeorge, Joseph J
Regulatory Toxicology and Pharmacology82, 94--98, Elsevier, 2016
Abstract

Application of an automated natural language processing (NLP) workflow to enable federated search of external biomedical content in drug discovery and development
McEntire, Robin and Szalkowski, Debbie and Butler, James and Kuo, Michelle S and Chang, Meiping and Chang, Man and Freeman, Darren and McQuay, Sarah and Patel, Jagruti and McGlashen, Michael and others
Drug discovery today 21(5), 826--835, Elsevier, 2016

Developing timely insights into comparative effectiveness research with a text-mining pipeline
Chang, Meiping and Chang, Man and Reed, Jane Z and Milward, David and Xu, Jinghai James and Cornell, Wendy D
Drug discovery today 21(3), 473--480, Elsevier, 2016
Abstract


2012

Teach--Discover--Treat (TDT): Collaborative computational drug discovery for neglected diseases
Jansen, Johanna M and Cornell, Wendy and Tseng, Y Jane and Amaro, Rommie E
Journal of Molecular Graphics and Modelling38, 360--362, Elsevier, 2012

QSAR Prediction of Passive Permeability in the LLC-PK1 Cell Line: Trends in Molecular Properties and Cross-Prediction of Caco-2 Permeabilities
Sherer, Edward C and Verras, Andreas and Madeira, Maria and Hagmann, William K and Sheridan, Robert P and Roberts, Drew and Bleasby, Kelly and Cornell, Wendy D
Molecular Informatics 31(3-4), 231--245, Wiley Online Library, 2012

Computational chemistry and drug discovery: a call to action
Jansen, Johanna M and Amaro, Rommie E and Cornell, Wendy and Tseng, Y Jane and Walters, W Patrick
Future medicinal chemistry 4(15), 1893--1896, Future Science, 2012


2010

Drug-like density: a method of quantifying the “bindability” of a protein target based on a very large set of pockets and drug-like ligands from the Protein Data Bank
Sheridan, Robert P and Maiorov, Vladimir N and Holloway, M Katharine and Cornell, Wendy D and Gao, Ying-Duo
Journal of chemical information and modeling 50(11), 2029--2040, ACS Publications, 2010


2009

Steroid hormone binding receptors: application of homology modeling, induced fit docking, and molecular dynamics to study structure-function relationships
Cornell, Wendy and Nam, Kiyean
Current topics in medicinal chemistry 9(9), 844--853, Bentham Science Publishers, 2009

QSAR models for predicting the similarity in binding profiles for pairs of protein kinases and the variation of models between experimental data sets
Sheridan, Robert P and Nam, Kiyean and Maiorov, Vladimir N and McMasters, Daniel R and Cornell, Wendy D
Journal of chemical information and modeling 49(8), 1974--1985, ACS Publications, 2009

Discovery of Potent, Selective, and Orally Active Carboxylic Acid Based Inhibitors of Matrix Metalloproteinase-13†
Monovich, Lauren G and Tommasi, Ruben A and Fujimoto, Roger A and Blancuzzi, Vincent and Clark, Kirk and Cornell, Wendy D and Doti, Robert and Doughty, John and Fang, James and Farley, David and others
Journal of medicinal chemistry 52(11), 3523--3538, ACS Publications, 2009


2008

Multiple protein structures and multiple ligands: effects on the apparent goodness of virtual screening results
Sheridan, Robert P and McGaughey, Georgia B and Cornell, Wendy D
Journal of computer-aided molecular design 22(3-4), 257--265, Springer, 2008


2007

Comparison of topological, shape, and docking methods in virtual screening
McGaughey, Georgia B and Sheridan, Robert P and Bayly, Christopher I and Culberson, J Chris and Kreatsoulas, Constantine and Lindsley, Stacey and Maiorov, Vladimir and Truchon, Jean-Francois and Cornell, Wendy D
Journal of chemical information and modeling 47(4), 1504--1519, ACS Publications, 2007


2006

Recent evaluations of high throughput docking methods for pharmaceutical lead finding--consensus and caveats
Cornell, Wendy D
Annual Reports in Computational Chemistry2, 297--323, Elsevier, 2006


2003

Simulation of the different biological activities of diethylstilbestrol (DES) on estrogen receptor $alpha$ and estrogen-related receptor $gamma$
Nam, Kiyean and Marshall, Paul and M Wolf, Romain and Cornell, Wendy
Biopolymers 68(1), 130--138, Wiley Online Library, 2003

Glucocorticoid receptor antagonism by cyproterone acetate and RU486
Honer, Christian and Nam, Kiyean and Fink, Cynthia and Marshall, Paul and Ksander, Gary and Chatelain, Ricardo E and Cornell, Wendy and Steele, Ronald and Schweitzer, Robert and Schumacher, Christoph
Molecular pharmacology 63(5), 1012--1020, ASPET, 2003


2002

Inhibitors of human histone deacetylase: synthesis and enzyme and cellular activity of straight chain hydroxamates
Remiszewski, Stacy W and Sambucetti, Lidia C and Atadja, Peter and Bair, Kenneth W and Cornell, Wendy D and Green, Michael A and Howell, Kobporn Lulu and Jung, Manfred and Kwon, Paul and Trogani, Nancy and others
Journal of medicinal chemistry 45(4), 753--757, ACS Publications, 2002


2001

Continuum solvent molecular dynamics study of flexibility in interleukin-8
Cornell, Wendy and Abseher, Roger and Nilges, Michael and Case, David A
Journal of Molecular Graphics and Modelling 19(1), 136--145, Elsevier, 2001


1998

Charge Distribution Calculations: Alternative Approaches
Cornell, Wendy D and Chipot, Christophe
Encyclopedia of Computational Chemistry, Wiley Online Library, 1998


1997

The development/application of a ‘minimalist’organic/biochemical molecular mechanic force field using a combination of ab initio calculations and experimental data
Kollman, Peter and Dixon, Richard and Cornell, Wendy and Fox, Thomas and Chipot, Chris and Pohorille, Andrew
Computer simulation of biomolecular systems, pp. 83--96, Springer, 1997

The effects of basis set and blocking groups on the conformational energies of glycyl and alanyl dipeptides A Hartree-Fock and MP2 study
Cornell, Wendy D and Gould, Ian R and Kollman, Peter A
Journal of Molecular Structure: THEOCHEM392, 101--109, Elsevier, 1997

The development/application of a ‘minimalist’organic/biochemical molecular mechanic force field using a combination of ab initio calculations and experimental data
Kollman, Peter and Dixon, Richard and Cornell, Wendy and Fox, Thomas and Chipot, Chris and Pohorille, Andrew
Computer simulation of biomolecular systems, pp. 83--96, Springer, 1997


1996

Application of a simple diagonal force field to the simulation of cyclopentane conformational dynamics
Cornell, Wendy D and Ha, Maria P and Sun, Yax and Kollman, Peter A
Journal of computational chemistry 17(13), 1541--1548, Wiley Online Library, 1996


1995

Calculation of molecular geometries, relative conformational energies, dipole moments, and molecular electrostatic potential fitted charges of small organic molecules of biochemical interest by density functional theory
St-Amant, Alain and Cornell, Wendy D and Kollman, Peter A and Halgren, Thomas A
Journal of computational chemistry 16(12), 1483--1506, Wiley Online Library, 1995

Application of the multimolecule and multiconformational RESP methodology to biopolymers: Charge derivation for DNA, RNA, and proteins
Cieplak, Piotr and Cornell, Wendy D and Bayly, Christopher and Kollman, Peter A
Journal of Computational Chemistry 16(11), 1357--1377, Wiley Online Library, 1995

A second generation force field for the simulation of proteins, nucleic acids, and organic molecules
Cornell, Wendy D and Cieplak, Piotr and Bayly, Christopher I and Gould, Ian R and Merz, Kenneth M and Ferguson, David M and Spellmeyer, David C and Fox, Thomas and Caldwell, James W and Kollman, Peter A
Journal of the American Chemical Society 117(19), 5179--5197, ACS Publications, 1995


1994

A quantum mechanical investigation of the conformational energetics of the alanine and glycine dipeptides in the gas phase and in aqueous solution
Gould, Ian R and Cornell, Wendy D and Hillier, Ian H
Journal of the American Chemical Society 116(20), 9250--9256, ACS Publications, 1994


1993

Application of RESP charges to calculate conformational energies, hydrogen bond energies, and free energies of solvation
Cornell, Wendy D and Cieplak, Piotr and Bayly, Christopher I and Kollmann, Peter A
Journal of the American Chemical Society 115(21), 9620--9631, ACS Publications, 1993

A well-behaved electrostatic potential based method using charge restraints for deriving atomic charges: the RESP model
Bayly, Christopher I and Cieplak, Piotr and Cornell, Wendy and Kollman, Peter A
The Journal of Physical Chemistry 97(40), 10269--10280, ACS Publications, 1993


1991

Molecular mechanical potential functions and their application to study molecular systems: Current Opinion in Structural Biology 1991, 1: 201--212
Cornell, Wendy D and Howard, Allison E and Kollman, Peter
Current Opinion in Structural Biology 1(2), 201--212, Elsevier, 1991