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Methods in Molecular Biology (Clifton, N.J.)
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February 5, 2020
What Next for Quantum Mechanics in Structure-Based Drug Discovery?
Richard A Bryce
Future Medicinal Chemistry
|
May 11, 2011
Physics-based scoring of protein-ligand interactions: explicit polarizability, quantum mechanics and free energies
Richard A Bryce
Physical Chemistry Chemical Physics : PCCP
|
June 3, 2017
Approximate quantum chemical methods for modelling carbohydrate conformation and aromatic interactions: β-cyclodextrin and its adsorption on a single-layer graphene sheet
Panichakorn Jaiyong, Richard A Bryce
Journal of Molecular Graphics & Modelling
|
August 16, 2005
Scoring binding affinity of multiple ligands using implicit solvent and a single molecular dynamics trajectory: application to influenza neuraminidase
Pascal Bonnet, Richard A Bryce
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
February 28, 2025
Discriminating High from Low Energy Conformers of Druglike Molecules: An Assessment of Machine Learning Potentials and Quantum Chemical Methods
Linghan Kong, Richard A Bryce
Journal of Chemical Information and Modeling
|
October 15, 2019
Ring Puckering Landscapes of Glycosaminoglycan-Related Monosaccharides from Molecular Dynamics Simulations
Irfan Alibay, Richard A Bryce
Expert Opinion on Drug Discovery
|
January 8, 2013
The application of quantum mechanics in structure-based drug design
Daniel Mucs, Richard A Bryce
Journal of Computational Chemistry
|
September 27, 2022
Modeling pyranose ring pucker in carbohydrates using machine learning and semi-empirical quantum chemical methods
Linghan Kong, Richard A Bryce
Journal of Chemical Theory and Computation
|
December 1, 2015
Improved Hydrogen Bonding at the NDDO-Type Semiempirical Quantum Mechanical/Molecular Mechanical Interface
Qiantao Wang, Richard A Bryce
Protein Science : a Publication of the Protein Society
|
March 27, 2004
Molecular dynamics and free energy analysis of neuraminidase-ligand interactions
Pascal Bonnet, Richard A Bryce
Page
of 9
Search research articles
Search
Showing results (1-10 of 85) with videos related to
Sort By:
Page
of 9
Methods in Molecular Biology (Clifton, N.J.)
|
February 5, 2020
What Next for Quantum Mechanics in Structure-Based Drug Discovery?
Richard A Bryce
Future Medicinal Chemistry
|
May 11, 2011
Physics-based scoring of protein-ligand interactions: explicit polarizability, quantum mechanics and free energies
Richard A Bryce
Physical Chemistry Chemical Physics : PCCP
|
June 3, 2017
Approximate quantum chemical methods for modelling carbohydrate conformation and aromatic interactions: β-cyclodextrin and its adsorption on a single-layer graphene sheet
Panichakorn Jaiyong, Richard A Bryce
Journal of Molecular Graphics & Modelling
|
August 16, 2005
Scoring binding affinity of multiple ligands using implicit solvent and a single molecular dynamics trajectory: application to influenza neuraminidase
Pascal Bonnet, Richard A Bryce
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
February 28, 2025
Discriminating High from Low Energy Conformers of Druglike Molecules: An Assessment of Machine Learning Potentials and Quantum Chemical Methods
Linghan Kong, Richard A Bryce
Journal of Chemical Information and Modeling
|
October 15, 2019
Ring Puckering Landscapes of Glycosaminoglycan-Related Monosaccharides from Molecular Dynamics Simulations
Irfan Alibay, Richard A Bryce
Expert Opinion on Drug Discovery
|
January 8, 2013
The application of quantum mechanics in structure-based drug design
Daniel Mucs, Richard A Bryce
Journal of Computational Chemistry
|
September 27, 2022
Modeling pyranose ring pucker in carbohydrates using machine learning and semi-empirical quantum chemical methods
Linghan Kong, Richard A Bryce
Journal of Chemical Theory and Computation
|
December 1, 2015
Improved Hydrogen Bonding at the NDDO-Type Semiempirical Quantum Mechanical/Molecular Mechanical Interface
Qiantao Wang, Richard A Bryce
Protein Science : a Publication of the Protein Society
|
March 27, 2004
Molecular dynamics and free energy analysis of neuraminidase-ligand interactions
Pascal Bonnet, Richard A Bryce
Page
of 9