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1

Selected topics in ab initio computational chemistry in both very small and very large chemical systems

Clementi, Enrico., Corongiu, Giorgina., Bahattacharya, Deleep., Feuston, Bradley., Frye, Daniel., Preiskorn, Alexandra., Rizzo, Antonio., Xue, Weige.

Journal:

Chemical Reviews

Year:

1991

Language:

english

File:

PDF, 3.62 MB

english, 1991

2

Molecular Model of the α IIb β 3 Integrin

Feuston, Bradley P., Culberson, J. Christopher, Hartman, George D.

Journal:

Journal of Medicinal Chemistry

Year:

2003

Language:

english

File:

PDF, 1.31 MB

english, 2003

3

Reagent Selector: Using Synthon Analysis to Visualize Reagent Properties and Assist in Combinatorial Library Design.

Ralph T. Mosley, J. Christopher Culberson, Bryan Kraker, Bradley P. Feuston, Robert P. Sheridan, John F. Conway, Joseph K. Forbes, Subhas J. Chakravorty, Simon K. Kearsley

Journal:

Year:

2005

File:

PDF, 8 KB

2005

4

Book Review. Review of Modelling of Structure and Reactivity in Zeolite, by C. R. A. Catlow.

Bradley P. Feuston

Journal:

Journal of Solid State Chemistry

Year:

1993

File:

PDF, 140 KB

1993

5

Potent and selective HIV-1 ribonuclease H inhibitors based on a 1-hydroxy-1,8-naphthyridin-2(1H)-one scaffold

Peter D. Williams, Donnette D. Staas, Shankar Venkatraman, H. Marie Loughran, Rowena D. Ruzek, Theresa M. Booth, Terry A. Lyle, John S. Wai, Joseph P. Vacca, Bradley P. Feuston, Linda T. Ecto, Jessica

Journal:

Bioorganic & Medicinal Chemistry Letters

Year:

2010

Language:

english

File:

PDF, 320 KB

english, 2010

6

Identification of metabotropic glutamate receptor antagonists using an automated high-throughput screening system

Peter Hodder, Jason Cassaday, Richard Peltier, Kurtis Berry, James Inglese, Bradley Feuston, Chris Culberson, Leo Bleicher, Nicholas D.P Cosford, Chris Bayly, Carla Suto, Mark Varney, Berta Strulovici

Journal:

Analytical Biochemistry

Year:

2003

Language:

english

File:

PDF, 616 KB

english, 2003

7

Dynamic control of allosteric antagonism of leukocyte function antigen-1 and intercellular adhesion molecule-1 interaction

Kiyean Nam, Vladimir Maiorov, Bradley Feuston, Simon Kearsley

Journal:

Proteins: Structure, Function, and Bioinformatics

Year:

2006

Language:

english

File:

PDF, 947 KB

english, 2006

8

Scoring of KDR Kinase Inhibitors: Using Interaction Energy as a Guide for Ranking

Georgia B. McGaughey, J. Chris Culberson, Bradley P. Feuston, Constantine Kreatsoulas, Vladimir Maiorov, Joseph Shpungin

Journal:

Molecular Diversity

Year:

2006

Language:

english

File:

PDF, 253 KB

english, 2006

9

Nonpeptide αvβ3 Antagonists. Part 11: Discovery and Preclinical Evaluation of Potent αvβ3 Antagonists for the Prevention and Treatment of Osteoporosis

Coleman, Paul J., Brashear, Karen M., Askew, Ben C., Hutchinson, John H., McVean, Carol A., Duong, Le T., Feuston, Bradley P., Fernandez-Metzler, Carmen, Gentile, Michael A., Hartman, George D.

Journal:

Journal of Medicinal Chemistry

Year:

2004

Language:

english

File:

PDF, 208 KB

english, 2004

10

Binding Model for Nonpeptide Antagonists of α v β 3 Integrin

Feuston, Bradley P., Culberson, J. Chris, Duggan, Mark E., Hartman, George D., Leu, Chih-Tai, Rodan, Sevgi B.

Journal:

Journal of Medicinal Chemistry

Year:

2002

Language:

english

File:

PDF, 1.20 MB

english, 2002

11

Molecular Umbrella Conjugate for the Ocular Delivery of siRNA

Janout, Vaclav, Cline, Lauren L., Feuston, Bradley P., Klein, Lee, O’Brien, Ann, Tucker, Tom, Yuan, Yu, O’Neill-Davis, Lynn A., Peiffer, Robert L., Nerurkar, Sandhya S., Jadhav, Vasant, Tellers, David

Journal:

Bioconjugate Chemistry

Year:

2014

Language:

english

File:

PDF, 1.74 MB

english, 2014

12

Molecular Dynamics Simulations of 4-Component Membranes with Novel Cationic Lipids Yield Insight into Apoe Binding

Feuston, Bradley P., Colletti, Steven, Culberson, Christopher, Gindy, Marian, Koeplinger, Kenneth, Stanton, Mathew

Journal:

Biophysical Journal

Year:

2014

Language:

english

File:

PDF, 41 KB

english, 2014

13

Reagent Selector: Using Synthon Analysis to Visualize Reagent Properties and Assist in Combinatorial Library Design

Mosley, Ralph T., Culberson, J. Christopher, Kraker, Bryan, Feuston, Bradley P., Sheridan, Robert P., Conway, John F., Forbes, Joseph K., Chakravorty, Subhas J., Kearsley, Simon K.

Journal:

Journal of Chemical Information and Modeling

Year:

2005

Language:

english

File:

PDF, 503 KB

english, 2005

14

Dissecting the Effects of DNA Polymerase and Ribonuclease H Inhibitor Combinations on HIV-1 Reverse-Transcriptase Activities

Shaw-Reid, Cathryn A., Feuston, Bradley, Munshi, Vandna, Getty, Krista, Krueger, Julie, Hazuda, Daria J., Parniak, Michael A., Miller, Michael D., Lewis, Dale

Journal:

Year:

2005

Language:

english

File:

PDF, 769 KB

english, 2005

15

Ground-state and finite-temperature energetics and topologies of germanium microclusters

Antonio, Giomal A., Feuston, Bradley P., Kalia, Rajiv K., Vashishta, P.

Journal:

The Journal of Chemical Physics

Year:

1988

Language:

english

File:

PDF, 1.25 MB

english, 1988

16

at finite temperature from ab initio molecular dynamics

Feuston, Bradley P., Andreoni, Wanda, Parrinello, Michele, Clementi, Enrico

Journal:

Physical Review B

Year:

1991

Language:

english

File:

PDF, 178 KB

english, 1991

17

Web Enabling Technology for the Design, Enumeration, Optimization and Tracking of Compound Libraries

Feuston, Bradley, Chakravorty, Subhas, Conway, John, Culberson, J., Forbes, Joseph, Kraker, Bryan, Lennon, Patricia, Lindsley, Craig, McGaughey, Georgia, Mosley, Ralph, Sheridan, Robert, Valenciano, M

Journal:

Current Topics in Medicinal Chemistry

Year:

2005

Language:

english

File:

PDF, 561 KB

english, 2005

18

Targeted purification development enabled by computational biophysical modeling

Insaidoo, Francis K., Rauscher, Michael A., Smithline, Shepard J., Kaarsholm, Niels C., Feuston, Bradley P., Ortigosa, Allison D., Linden, Thomas O., Roush, David J.

Journal:

Biotechnology Progress

Year:

2015

Language:

english

File:

PDF, 600 KB

english, 2015