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Journal of Chemical Information and Modeling
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February 15, 2019
Ranking Reversible Covalent Drugs: From Free Energy Perturbation to Fragment Docking
Han Zhang, Wenjuan Jiang, Payal Chatterjee, et al.
Journal of Chemical Theory and Computation
|
February 11, 2022
Deep Neural Network Model to Predict the Electrostatic Parameters in the Polarizable Classical Drude Oscillator Force Field
Anmol Kumar, Poonam Pandey, Payal Chatterjee, et al.
Journal of Chemical Theory and Computation
|
April 1, 2022
Harnessing Deep Learning for Optimization of Lennard-Jones Parameters for the Polarizable Classical Drude Oscillator Force Field
Payal Chatterjee, Mert Y Sengul, Anmol Kumar, et al.
Current Drug Discovery Technologies
|
September 13, 2018
Cancer Cell Metabolism Featuring Nrf2
Payal Chatterjee, Mukesh Yadav, Namrata Chauhan, et al.
Physical Chemistry Chemical Physics : PCCP
|
August 2, 2019
Solvation dynamics: improved reproduction of the time-dependent Stokes shift with polarizable empirical force field chromophore models
Esther Heid, Stella Schmode, Payal Chatterjee, et al.
Journal of Chemical Theory and Computation
|
February 28, 2019
Toward Prediction of Electrostatic Parameters for Force Fields That Explicitly Treat Electronic Polarization
Esther Heid, Markus Fleck, Payal Chatterjee, et al.
Biological Research
|
August 9, 2018
A Nexus model of cellular transition in cancer
Mukesh Yadav, Payal Chatterjee, Simran Tolani, et al.
Plos Computational Biology
|
August 23, 2017
Polymodal allosteric regulation of Type 1 Serine/Threonine Kinase Receptors via a conserved electrostatic lock
Wesley M Botello-Smith, Abdelaziz Alsamarah, Payal Chatterjee, et al.
Scientific Reports
|
January 27, 2018
Molecular Mechanism of Resveratrol's Lipid Membrane Protection
Qinqin Fei, David Kent, Wesley M Botello-Smith, et al.
Journal of the American Chemical Society
|
November 11, 2017
Can Relative Binding Free Energy Predict Selectivity of Reversible Covalent Inhibitors?
Payal Chatterjee, Wesley M Botello-Smith, Han Zhang, et al.
Page
of 2
Search research articles
Search
Showing results (1-10 of 15) with videos related to
Sort By:
Page
of 2
Journal of Chemical Information and Modeling
|
February 15, 2019
Ranking Reversible Covalent Drugs: From Free Energy Perturbation to Fragment Docking
Han Zhang, Wenjuan Jiang, Payal Chatterjee, et al.
Journal of Chemical Theory and Computation
|
February 11, 2022
Deep Neural Network Model to Predict the Electrostatic Parameters in the Polarizable Classical Drude Oscillator Force Field
Anmol Kumar, Poonam Pandey, Payal Chatterjee, et al.
Journal of Chemical Theory and Computation
|
April 1, 2022
Harnessing Deep Learning for Optimization of Lennard-Jones Parameters for the Polarizable Classical Drude Oscillator Force Field
Payal Chatterjee, Mert Y Sengul, Anmol Kumar, et al.
Current Drug Discovery Technologies
|
September 13, 2018
Cancer Cell Metabolism Featuring Nrf2
Payal Chatterjee, Mukesh Yadav, Namrata Chauhan, et al.
Physical Chemistry Chemical Physics : PCCP
|
August 2, 2019
Solvation dynamics: improved reproduction of the time-dependent Stokes shift with polarizable empirical force field chromophore models
Esther Heid, Stella Schmode, Payal Chatterjee, et al.
Journal of Chemical Theory and Computation
|
February 28, 2019
Toward Prediction of Electrostatic Parameters for Force Fields That Explicitly Treat Electronic Polarization
Esther Heid, Markus Fleck, Payal Chatterjee, et al.
Biological Research
|
August 9, 2018
A Nexus model of cellular transition in cancer
Mukesh Yadav, Payal Chatterjee, Simran Tolani, et al.
Plos Computational Biology
|
August 23, 2017
Polymodal allosteric regulation of Type 1 Serine/Threonine Kinase Receptors via a conserved electrostatic lock
Wesley M Botello-Smith, Abdelaziz Alsamarah, Payal Chatterjee, et al.
Scientific Reports
|
January 27, 2018
Molecular Mechanism of Resveratrol's Lipid Membrane Protection
Qinqin Fei, David Kent, Wesley M Botello-Smith, et al.
Journal of the American Chemical Society
|
November 11, 2017
Can Relative Binding Free Energy Predict Selectivity of Reversible Covalent Inhibitors?
Payal Chatterjee, Wesley M Botello-Smith, Han Zhang, et al.
Page
of 2