Search research articles
Contact Us
Filters
Showing results (21-30 of 59) with videos related to
Page
of 6
Sort By:
Chembiochem : a European Journal of Chemical Biology
|
January 11, 2020
A Modified Arrhenius Approach to Thermodynamically Study Regioselectivity in Cytochrome P450-Catalyzed Substrate Conversion
Rosa A Luirink, Marlies C A Verkade-Vreeker, Jan N M Commandeur, et al.
Journal of Chemical Information and Modeling
|
June 16, 2026
Can Graph Neural Networks Understand Chemical Elements?
Victor Kyllesbech, David A Poole Iii, Dimitrios Alivanistos, et al.
Journal of Chemical Information and Modeling
|
August 29, 2019
A Comparative Linear Interaction Energy and MM/PBSA Study on SIRT1-Ligand Binding Free Energy Calculation
Eko Aditya Rifai, Marc van Dijk, Nico P E Vermeulen, et al.
Journal of Chemical Theory and Computation
|
October 6, 2018
Automated Topology Builder Version 3.0: Prediction of Solvation Free Enthalpies in Water and Hexane
Martin Stroet, Bertrand Caron, Koen M Visscher, et al.
Journal of Chemical Information and Modeling
|
July 7, 2012
Free energy calculations give insight into the stereoselective hydroxylation of α-ionones by engineered cytochrome P450 BM3 mutants
Stephanie B A de Beer, Harini Venkataraman, Daan P Geerke, et al.
Algorithms for Molecular Biology : AMB
|
March 7, 2019
Automated partial atomic charge assignment for drug-like molecules: a fast knapsack approach
Martin S Engler, Bertrand Caron, Lourens Veen, et al.
Journal of Chemical Theory and Computation
|
November 24, 2015
QM/MM-Based Fitting of Atomic Polarizabilities for Use in Condensed-Phase Biomolecular Simulation
C Ruben Vosmeer, Ariën S Rustenburg, Julia E Rice, et al.
Journal of Molecular Modeling
|
January 14, 2016
Improving the iterative Linear Interaction Energy approach using automated recognition of configurational transitions
C Ruben Vosmeer, Derk P Kooi, Luigi Capoferri, et al.
Life Science Alliance
|
June 16, 2023
Distant sequence regions of JBP1 contribute to J-DNA binding
Ida de Vries, Danique Ammerlaan, Tatjana Heidebrecht, et al.
Journal of Chemical Information and Modeling
|
August 5, 2017
Comprehensive and Automated Linear Interaction Energy Based Binding-Affinity Prediction for Multifarious Cytochrome P450 Aromatase Inhibitors
Marc van Dijk, Antonius M Ter Laak, Jörg D Wichard, et al.
Page
of 6
Search research articles
Search
Showing results (21-30 of 59) with videos related to
Sort By:
Page
of 6
Chembiochem : a European Journal of Chemical Biology
|
January 11, 2020
A Modified Arrhenius Approach to Thermodynamically Study Regioselectivity in Cytochrome P450-Catalyzed Substrate Conversion
Rosa A Luirink, Marlies C A Verkade-Vreeker, Jan N M Commandeur, et al.
Journal of Chemical Information and Modeling
|
June 16, 2026
Can Graph Neural Networks Understand Chemical Elements?
Victor Kyllesbech, David A Poole Iii, Dimitrios Alivanistos, et al.
Journal of Chemical Information and Modeling
|
August 29, 2019
A Comparative Linear Interaction Energy and MM/PBSA Study on SIRT1-Ligand Binding Free Energy Calculation
Eko Aditya Rifai, Marc van Dijk, Nico P E Vermeulen, et al.
Journal of Chemical Theory and Computation
|
October 6, 2018
Automated Topology Builder Version 3.0: Prediction of Solvation Free Enthalpies in Water and Hexane
Martin Stroet, Bertrand Caron, Koen M Visscher, et al.
Journal of Chemical Information and Modeling
|
July 7, 2012
Free energy calculations give insight into the stereoselective hydroxylation of α-ionones by engineered cytochrome P450 BM3 mutants
Stephanie B A de Beer, Harini Venkataraman, Daan P Geerke, et al.
Algorithms for Molecular Biology : AMB
|
March 7, 2019
Automated partial atomic charge assignment for drug-like molecules: a fast knapsack approach
Martin S Engler, Bertrand Caron, Lourens Veen, et al.
Journal of Chemical Theory and Computation
|
November 24, 2015
QM/MM-Based Fitting of Atomic Polarizabilities for Use in Condensed-Phase Biomolecular Simulation
C Ruben Vosmeer, Ariën S Rustenburg, Julia E Rice, et al.
Journal of Molecular Modeling
|
January 14, 2016
Improving the iterative Linear Interaction Energy approach using automated recognition of configurational transitions
C Ruben Vosmeer, Derk P Kooi, Luigi Capoferri, et al.
Life Science Alliance
|
June 16, 2023
Distant sequence regions of JBP1 contribute to J-DNA binding
Ida de Vries, Danique Ammerlaan, Tatjana Heidebrecht, et al.
Journal of Chemical Information and Modeling
|
August 5, 2017
Comprehensive and Automated Linear Interaction Energy Based Binding-Affinity Prediction for Multifarious Cytochrome P450 Aromatase Inhibitors
Marc van Dijk, Antonius M Ter Laak, Jörg D Wichard, et al.
Page
of 6