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Journal of Computer-Aided Molecular Design
|
July 1, 2009
Challenges of fragment screening
Diane Joseph-McCarthy
Proteins
|
March 28, 2003
Automated generation of MCSS-derived pharmacophoric DOCK site points for searching multiconformation databases
Diane Joseph-McCarthy, Juan C Alvarez
Drug Discovery Today
|
October 3, 2025
Improving B-cell epitope prediction
Hao Yu, Diane Joseph-McCarthy, Sandor Vajda
Journal of Chemical Information and Modeling
|
May 10, 2008
Investigation of MM-PBSA rescoring of docking poses
David C Thompson, Christine Humblet, Diane Joseph-McCarthy
Journal of Chemical Information and Modeling
|
June 3, 2014
Ensemble-based docking using biased molecular dynamics
Arthur J Campbell, Michelle L Lamb, Diane Joseph-McCarthy
Journal of Computer-Aided Molecular Design
|
August 8, 2012
Virtual fragment screening: exploration of MM-PBSA re-scoring
Sameer Kawatkar, Demetri Moustakas, Matthew Miller, et al.
Journal of Computer-Aided Molecular Design
|
June 5, 2009
Virtual fragment screening: an exploration of various docking and scoring protocols for fragments using Glide
Sameer Kawatkar, Hongming Wang, Ryszard Czerminski, et al.
Biorxiv : the Preprint Server for Biology
|
January 8, 2026
The Influence of Ligands on AlphaFold3 Prediction of Cryptic Pockets
Maria Lazou, Felix Tuchscherer, Sandor Vajda, et al.
Drug Discovery Today
|
October 5, 2024
Which cryptic sites are feasible drug targets?
Maria Lazou, Dima Kozakov, Diane Joseph-McCarthy, et al.
Journal of Chemical Information and Modeling
|
February 5, 2014
Fragment-based lead discovery and design
Diane Joseph-McCarthy, Arthur J Campbell, Gunther Kern, et al.
Page
of 6
Search research articles
Search
Showing results (1-10 of 59) with videos related to
Sort By:
Page
of 6
Journal of Computer-Aided Molecular Design
|
July 1, 2009
Challenges of fragment screening
Diane Joseph-McCarthy
Proteins
|
March 28, 2003
Automated generation of MCSS-derived pharmacophoric DOCK site points for searching multiconformation databases
Diane Joseph-McCarthy, Juan C Alvarez
Drug Discovery Today
|
October 3, 2025
Improving B-cell epitope prediction
Hao Yu, Diane Joseph-McCarthy, Sandor Vajda
Journal of Chemical Information and Modeling
|
May 10, 2008
Investigation of MM-PBSA rescoring of docking poses
David C Thompson, Christine Humblet, Diane Joseph-McCarthy
Journal of Chemical Information and Modeling
|
June 3, 2014
Ensemble-based docking using biased molecular dynamics
Arthur J Campbell, Michelle L Lamb, Diane Joseph-McCarthy
Journal of Computer-Aided Molecular Design
|
August 8, 2012
Virtual fragment screening: exploration of MM-PBSA re-scoring
Sameer Kawatkar, Demetri Moustakas, Matthew Miller, et al.
Journal of Computer-Aided Molecular Design
|
June 5, 2009
Virtual fragment screening: an exploration of various docking and scoring protocols for fragments using Glide
Sameer Kawatkar, Hongming Wang, Ryszard Czerminski, et al.
Biorxiv : the Preprint Server for Biology
|
January 8, 2026
The Influence of Ligands on AlphaFold3 Prediction of Cryptic Pockets
Maria Lazou, Felix Tuchscherer, Sandor Vajda, et al.
Drug Discovery Today
|
October 5, 2024
Which cryptic sites are feasible drug targets?
Maria Lazou, Dima Kozakov, Diane Joseph-McCarthy, et al.
Journal of Chemical Information and Modeling
|
February 5, 2014
Fragment-based lead discovery and design
Diane Joseph-McCarthy, Arthur J Campbell, Gunther Kern, et al.
Page
of 6