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Journal of Chemical Theory and Computation
|
November 22, 2015
Can We Accurately Describe the Structure of Adenine Tracts in B-DNA? Reference Quantum-Chemical Computations Reveal Overstabilization of Stacking by Molecular Mechanics
Pavel Banáš, Arnošt Mládek, Michal Otyepka, et al.
Mabs
|
February 8, 2022
BioPhi: A platform for antibody design, humanization, and humanness evaluation based on natural antibody repertoires and deep learning
David Prihoda, Jad Maamary, Andrew Waight, et al.
Nature Methods
|
July 29, 2017
Probes &Drugs portal: an interactive, open data resource for chemical biology
Ctibor Skuta, Martin Popr, Tomas Muller, et al.
Physical Chemistry Chemical Physics : PCCP
|
October 18, 2012
The DNA and RNA sugar-phosphate backbone emerges as the key player. An overview of quantum-chemical, structural biology and simulation studies
Jiří Šponer, Arnošt Mládek, Judit E Šponer, et al.
Frontiers in Chemistry
|
July 14, 2020
Can X-Ray Powder Diffraction Be a Suitable Forensic Method for Illicit Drug Identification?
Bronislav Jurásek, Vilém Bartůněk, Štěpán Huber, et al.
Physical Chemistry Chemical Physics : PCCP
|
April 12, 2013
Benchmark quantum-chemical calculations on a complete set of rotameric families of the DNA sugar-phosphate backbone and their comparison with modern density functional theory
Arnošt Mládek, Miroslav Krepl, Daniel Svozil, et al.
Molecular Informatics
|
July 9, 2024
Chemical space exploration with Molpher: Generating and assessing a glucocorticoid receptor ligand library
M Isabel Agea, Ivan Čmelo, Wim Dehaen, et al.
Journal of Chemical Information and Modeling
|
July 31, 2019
FAME 3: Predicting the Sites of Metabolism in Synthetic Compounds and Natural Products for Phase 1 and Phase 2 Metabolic Enzymes
Martin Šícho, Conrad Stork, Angelica Mazzolari, et al.
The Journal of Physical Chemistry. B
|
June 19, 2008
Geometrical and electronic structure variability of the sugar-phosphate backbone in nucleic acids
Daniel Svozil, Judit E Sponer, Ivan Marchan, et al.
Journal of Cheminformatics
|
May 8, 2026
Scaffold-based evaluation metrics for fair comparison of molecular generators
Valeriia Fil, Remco L Van Den Broek, Martin Šícho, et al.
Page
of 5
Search research articles
Search
Showing results (31-40 of 42) with videos related to
Sort By:
Page
of 5
Journal of Chemical Theory and Computation
|
November 22, 2015
Can We Accurately Describe the Structure of Adenine Tracts in B-DNA? Reference Quantum-Chemical Computations Reveal Overstabilization of Stacking by Molecular Mechanics
Pavel Banáš, Arnošt Mládek, Michal Otyepka, et al.
Mabs
|
February 8, 2022
BioPhi: A platform for antibody design, humanization, and humanness evaluation based on natural antibody repertoires and deep learning
David Prihoda, Jad Maamary, Andrew Waight, et al.
Nature Methods
|
July 29, 2017
Probes &Drugs portal: an interactive, open data resource for chemical biology
Ctibor Skuta, Martin Popr, Tomas Muller, et al.
Physical Chemistry Chemical Physics : PCCP
|
October 18, 2012
The DNA and RNA sugar-phosphate backbone emerges as the key player. An overview of quantum-chemical, structural biology and simulation studies
Jiří Šponer, Arnošt Mládek, Judit E Šponer, et al.
Frontiers in Chemistry
|
July 14, 2020
Can X-Ray Powder Diffraction Be a Suitable Forensic Method for Illicit Drug Identification?
Bronislav Jurásek, Vilém Bartůněk, Štěpán Huber, et al.
Physical Chemistry Chemical Physics : PCCP
|
April 12, 2013
Benchmark quantum-chemical calculations on a complete set of rotameric families of the DNA sugar-phosphate backbone and their comparison with modern density functional theory
Arnošt Mládek, Miroslav Krepl, Daniel Svozil, et al.
Molecular Informatics
|
July 9, 2024
Chemical space exploration with Molpher: Generating and assessing a glucocorticoid receptor ligand library
M Isabel Agea, Ivan Čmelo, Wim Dehaen, et al.
Journal of Chemical Information and Modeling
|
July 31, 2019
FAME 3: Predicting the Sites of Metabolism in Synthetic Compounds and Natural Products for Phase 1 and Phase 2 Metabolic Enzymes
Martin Šícho, Conrad Stork, Angelica Mazzolari, et al.
The Journal of Physical Chemistry. B
|
June 19, 2008
Geometrical and electronic structure variability of the sugar-phosphate backbone in nucleic acids
Daniel Svozil, Judit E Sponer, Ivan Marchan, et al.
Journal of Cheminformatics
|
May 8, 2026
Scaffold-based evaluation metrics for fair comparison of molecular generators
Valeriia Fil, Remco L Van Den Broek, Martin Šícho, et al.
Page
of 5