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Methods in Molecular Biology (Clifton, N.J.)
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November 3, 2021
Artificial Intelligence in Compound Design
Christoph Grebner, Hans Matter, Gerhard Hessler
Journal of Computational Chemistry
|
May 8, 2013
PathOpt--a global transition state search approach: outline of algorithm
Christoph Grebner, Lukas P Pason, Bernd Engels
Journal of Computational Chemistry
|
May 5, 2011
Efficiency of tabu-search-based conformational search algorithms
Christoph Grebner, Johannes Becker, Svetlana Stepanenko, et al.
Journal of Chemical Theory and Computation
|
November 22, 2015
A New Tabu-Search-Based Algorithm for Solvation of Proteins
Christoph Grebner, Johannes Kästner, Walter Thiel, et al.
Journal of Chemical Information and Modeling
|
November 13, 2015
Molecular Rift: Virtual Reality for Drug Designers
Magnus Norrby, Christoph Grebner, Joakim Eriksson, et al.
Frontiers in Chemistry
|
November 7, 2022
Optimizing interactions to protein binding sites by integrating docking-scoring strategies into generative AI methods
Susanne Sauer, Hans Matter, Gerhard Hessler, et al.
Journal of Chemical Information and Modeling
|
September 5, 2023
Integrating Reaction Schemes, Reagent Databases, and Virtual Libraries into Fragment-Based Design by Reinforcement Learning
Susanne Sauer, Hans Matter, Gerhard Hessler, et al.
Bioorganic & Medicinal Chemistry
|
July 21, 2016
Enhancing backbone sampling in Monte Carlo simulations using internal coordinates normal mode analysis
Victor A Gil, Daniel Lecina, Christoph Grebner, et al.
Journal of Medicinal Chemistry
|
March 6, 2020
Automated De Novo Design in Medicinal Chemistry: Which Types of Chemistry Does a Generative Neural Network Learn?
Christoph Grebner, Hans Matter, Alleyn T Plowright, et al.
Journal of Chemical Information and Modeling
|
January 26, 2022
Interpretation of Structure-Activity Relationships in Real-World Drug Design Data Sets Using Explainable Artificial Intelligence
Tobias Harren, Hans Matter, Gerhard Hessler, et al.
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of 3
Search research articles
Search
Showing results (1-10 of 26) with videos related to
Sort By:
Page
of 3
Methods in Molecular Biology (Clifton, N.J.)
|
November 3, 2021
Artificial Intelligence in Compound Design
Christoph Grebner, Hans Matter, Gerhard Hessler
Journal of Computational Chemistry
|
May 8, 2013
PathOpt--a global transition state search approach: outline of algorithm
Christoph Grebner, Lukas P Pason, Bernd Engels
Journal of Computational Chemistry
|
May 5, 2011
Efficiency of tabu-search-based conformational search algorithms
Christoph Grebner, Johannes Becker, Svetlana Stepanenko, et al.
Journal of Chemical Theory and Computation
|
November 22, 2015
A New Tabu-Search-Based Algorithm for Solvation of Proteins
Christoph Grebner, Johannes Kästner, Walter Thiel, et al.
Journal of Chemical Information and Modeling
|
November 13, 2015
Molecular Rift: Virtual Reality for Drug Designers
Magnus Norrby, Christoph Grebner, Joakim Eriksson, et al.
Frontiers in Chemistry
|
November 7, 2022
Optimizing interactions to protein binding sites by integrating docking-scoring strategies into generative AI methods
Susanne Sauer, Hans Matter, Gerhard Hessler, et al.
Journal of Chemical Information and Modeling
|
September 5, 2023
Integrating Reaction Schemes, Reagent Databases, and Virtual Libraries into Fragment-Based Design by Reinforcement Learning
Susanne Sauer, Hans Matter, Gerhard Hessler, et al.
Bioorganic & Medicinal Chemistry
|
July 21, 2016
Enhancing backbone sampling in Monte Carlo simulations using internal coordinates normal mode analysis
Victor A Gil, Daniel Lecina, Christoph Grebner, et al.
Journal of Medicinal Chemistry
|
March 6, 2020
Automated De Novo Design in Medicinal Chemistry: Which Types of Chemistry Does a Generative Neural Network Learn?
Christoph Grebner, Hans Matter, Alleyn T Plowright, et al.
Journal of Chemical Information and Modeling
|
January 26, 2022
Interpretation of Structure-Activity Relationships in Real-World Drug Design Data Sets Using Explainable Artificial Intelligence
Tobias Harren, Hans Matter, Gerhard Hessler, et al.
Page
of 3