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Scientific Data
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July 31, 2025
Correction: SAVI Space-combinatorial encoding of the billion-size synthetically accessible virtual inventory
Malte Korn, Philip Judson, Raphael Klein, et al.
Scientific Data
|
June 23, 2025
SAVI Space-combinatorial encoding of the billion-size synthetically accessible virtual inventory
Malte Korn, Philip Judson, Raphael Klein, et al.
Proteins
|
March 21, 2022
Analyzing structural features of proteins from deep-sea organisms
Jochen Sieg, Chris Claudius Sandmeier, Julia Lieske, et al.
Journal of Computer-Aided Molecular Design
|
March 17, 2024
SpaceGrow: efficient shape-based virtual screening of billion-sized combinatorial fragment spaces
Sophia M N Hönig, Florian Flachsenberg, Christiane Ehrt, et al.
Journal of Chemical Information and Modeling
|
December 16, 2011
Discovery of novel histamine H4 and serotonin transporter ligands using the topological feature tree descriptor
Róbert Kiss, Márk Sándor, Anikó Gere, et al.
Molecules (Basel, Switzerland)
|
August 29, 2019
SAR by Space: Enriching Hit Sets from the Chemical Space
Franca-Maria Klingler, Marcus Gastreich, Oleksandr O Grygorenko, et al.
Journal of Computer-Aided Molecular Design
|
December 29, 2011
Substantial improvements in large-scale redocking and screening using the novel HYDE scoring function
Nadine Schneider, Sally Hindle, Gudrun Lange, et al.
Nature Communications
|
October 28, 2022
Chemical space docking enables large-scale structure-based virtual screening to discover ROCK1 kinase inhibitors
Paul Beroza, James J Crawford, Oleg Ganichkin, et al.
Journal of Computer-Aided Molecular Design
|
June 30, 2009
Second-generation de novo design: a view from a medicinal chemist perspective
Andrea Zaliani, Krisztina Boda, Thomas Seidel, et al.
Journal of Molecular Graphics & Modelling
|
June 20, 2002
Coupling structure-based design with combinatorial chemistry: application of active site derived pharmacophores with informative library design
John E Eksterowicz, Erik Evensen, Christian Lemmen, et al.
Page
of 2
Search research articles
Search
Showing results (11-20 of 20) with videos related to
Sort By:
Page
of 2
You have reached the last page of results.
This site can display upto 20 results.
Scientific Data
|
July 31, 2025
Correction: SAVI Space-combinatorial encoding of the billion-size synthetically accessible virtual inventory
Malte Korn, Philip Judson, Raphael Klein, et al.
Scientific Data
|
June 23, 2025
SAVI Space-combinatorial encoding of the billion-size synthetically accessible virtual inventory
Malte Korn, Philip Judson, Raphael Klein, et al.
Proteins
|
March 21, 2022
Analyzing structural features of proteins from deep-sea organisms
Jochen Sieg, Chris Claudius Sandmeier, Julia Lieske, et al.
Journal of Computer-Aided Molecular Design
|
March 17, 2024
SpaceGrow: efficient shape-based virtual screening of billion-sized combinatorial fragment spaces
Sophia M N Hönig, Florian Flachsenberg, Christiane Ehrt, et al.
Journal of Chemical Information and Modeling
|
December 16, 2011
Discovery of novel histamine H4 and serotonin transporter ligands using the topological feature tree descriptor
Róbert Kiss, Márk Sándor, Anikó Gere, et al.
Molecules (Basel, Switzerland)
|
August 29, 2019
SAR by Space: Enriching Hit Sets from the Chemical Space
Franca-Maria Klingler, Marcus Gastreich, Oleksandr O Grygorenko, et al.
Journal of Computer-Aided Molecular Design
|
December 29, 2011
Substantial improvements in large-scale redocking and screening using the novel HYDE scoring function
Nadine Schneider, Sally Hindle, Gudrun Lange, et al.
Nature Communications
|
October 28, 2022
Chemical space docking enables large-scale structure-based virtual screening to discover ROCK1 kinase inhibitors
Paul Beroza, James J Crawford, Oleg Ganichkin, et al.
Journal of Computer-Aided Molecular Design
|
June 30, 2009
Second-generation de novo design: a view from a medicinal chemist perspective
Andrea Zaliani, Krisztina Boda, Thomas Seidel, et al.
Journal of Molecular Graphics & Modelling
|
June 20, 2002
Coupling structure-based design with combinatorial chemistry: application of active site derived pharmacophores with informative library design
John E Eksterowicz, Erik Evensen, Christian Lemmen, et al.
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of 2