Conformational Ensemble Refinement is a computational method in pharmacophore refinement that optimizes the representative set of molecular conformations by selectively pruning or reweighting conformational states to enhance the accuracy and relevance of the ensemble with respect to bioactive conformations.
57
Publications
3.8K
Citations
234
Authors
118
Institutions
Publications per year
2017–2026
23
Parents
Publications
57
1–5 of 57
Authors
234
- JK
2
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2
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- WA
2
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2
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2
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1–5 of 234
Institutions
118
Polish Academy of Sciences
Warsaw, Poland
2 h-index
2 publications
55 citations
Schrodinger (United States)
New York, United States
2 h-index
4 publications
219 citations
University of Copenhagen
Copenhagen, Denmark
2 h-index
5 publications
97 citations
National Institutes of Health
Bethesda, United States
2 h-index
6 publications
308 citations
University of Milan
Milan, Italy
2 h-index
3 publications
127 citations
Uppsala University
Uppsala, Sweden
2 h-index
5 publications
379 citations
Michigan State University
East Lansing, United States
2 h-index
6 publications
195 citations
University of Turin
Turin, Italy
2 h-index
7 publications
329 citations
1–8 of 118
Venues
- Biophysical Journal
5 publications · 95 citations
5
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- Journal of Chemical Theory and Computation
JCTC · 4 publications · 1.1K citations
4
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- The Journal of Physical Chemistry B
4 publications · 172 citations
4
h-index
- Journal of Computational Chemistry
3 publications · 136 citations
3
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- Journal of Chemical Information and Modeling
JCIM · 3 publications · 83 citations
3
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1–5