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Journal of Chemical Information and Modeling
|
February 6, 2014
Merging applicability domains for in silico assessment of chemical mutagenicity
Ruifeng Liu, Anders Wallqvist
Journal of Chemical Information and Modeling
|
November 9, 2018
Molecular Similarity-Based Domain Applicability Metric Efficiently Identifies Out-of-Domain Compounds
Ruifeng Liu, Anders Wallqvist
Journal of Chemical Theory and Computation
|
December 15, 2010
Computing Relative Free Energies of Solvation using Single Reference Thermodynamic Integration Augmented with Hamiltonian Replica Exchange
Ilja V Khavrutskii, Anders Wallqvist
The Journal of Physical Chemistry. B
|
June 10, 2011
Spontaneous buckling of lipid bilayer and vesicle budding induced by antimicrobial peptide magainin 2: a coarse-grained simulation study
Hyung-June Woo, Anders Wallqvist
The Journal of Physical Chemistry. B
|
August 19, 2009
Structure and dynamics of end-to-end loop formation of the penta-peptide Cys-Ala-Gly-Gln-Trp in implicit solvents
In-Chul Yeh, Anders Wallqvist
Journal of Chemical Theory and Computation
|
November 3, 2011
Improved Binding Free Energy Predictions from Single-Reference Thermodynamic Integration Augmented with Hamiltonian Replica Exchange
Ilja V Khavrutskii, Anders Wallqvist
The Journal of Chemical Physics
|
February 10, 2011
On the proper calculation of electrostatic interactions in solid-supported bilayer systems
In-Chul Yeh, Anders Wallqvist
International Journal of Molecular Sciences
|
December 23, 2023
High-Throughput Transcriptomics Differentiates Toxic versus Non-Toxic Chemical Exposures Using a Rat Liver Model
Venkat R Pannala, Anders Wallqvist
Physical Review Letters
|
March 17, 2011
Nonequilibrium phase transitions associated with DNA replication
Hyung-June Woo, Anders Wallqvist
ACS Omega
|
July 20, 2018
Using the Variable-Nearest Neighbor Method To Identify P-Glycoprotein Substrates and Inhibitors
Patric Schyman, Ruifeng Liu, Anders Wallqvist
Page
of 18
Search research articles
Search
Showing results (1-10 of 180) with videos related to
Sort By:
Page
of 18
Journal of Chemical Information and Modeling
|
February 6, 2014
Merging applicability domains for in silico assessment of chemical mutagenicity
Ruifeng Liu, Anders Wallqvist
Journal of Chemical Information and Modeling
|
November 9, 2018
Molecular Similarity-Based Domain Applicability Metric Efficiently Identifies Out-of-Domain Compounds
Ruifeng Liu, Anders Wallqvist
Journal of Chemical Theory and Computation
|
December 15, 2010
Computing Relative Free Energies of Solvation using Single Reference Thermodynamic Integration Augmented with Hamiltonian Replica Exchange
Ilja V Khavrutskii, Anders Wallqvist
The Journal of Physical Chemistry. B
|
June 10, 2011
Spontaneous buckling of lipid bilayer and vesicle budding induced by antimicrobial peptide magainin 2: a coarse-grained simulation study
Hyung-June Woo, Anders Wallqvist
The Journal of Physical Chemistry. B
|
August 19, 2009
Structure and dynamics of end-to-end loop formation of the penta-peptide Cys-Ala-Gly-Gln-Trp in implicit solvents
In-Chul Yeh, Anders Wallqvist
Journal of Chemical Theory and Computation
|
November 3, 2011
Improved Binding Free Energy Predictions from Single-Reference Thermodynamic Integration Augmented with Hamiltonian Replica Exchange
Ilja V Khavrutskii, Anders Wallqvist
The Journal of Chemical Physics
|
February 10, 2011
On the proper calculation of electrostatic interactions in solid-supported bilayer systems
In-Chul Yeh, Anders Wallqvist
International Journal of Molecular Sciences
|
December 23, 2023
High-Throughput Transcriptomics Differentiates Toxic versus Non-Toxic Chemical Exposures Using a Rat Liver Model
Venkat R Pannala, Anders Wallqvist
Physical Review Letters
|
March 17, 2011
Nonequilibrium phase transitions associated with DNA replication
Hyung-June Woo, Anders Wallqvist
ACS Omega
|
July 20, 2018
Using the Variable-Nearest Neighbor Method To Identify P-Glycoprotein Substrates and Inhibitors
Patric Schyman, Ruifeng Liu, Anders Wallqvist
Page
of 18