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The Journal of Physical Chemistry. A
|
January 25, 2013
Impact of geometry optimization on base-base stacking interaction energies in the canonical A- and B-forms of DNA
Ashley Ringer McDonald, Elizabeth J Denning, Alexander D MacKerell
Biopolymers
|
May 25, 2013
Polarizable empirical force field for acyclic polyalcohols based on the classical Drude oscillator
Xibing He, Pedro E M Lopes, Alexander D Mackerell
Advances in Experimental Medicine and Biology
|
February 6, 2026
Computational Ligand-Binding Site Prediction
Erik B Nordquist, Frank T Horrigan, Alexander D MacKerell
The Journal of Physical Chemistry. B
|
July 10, 2010
Atomistic simulation study of linear alkylbenzene sulfonates at the water/air interface
Xibing He, Olgun Guvench, Alexander D Mackerell, et al.
Journal of Chemical Information and Modeling
|
October 17, 2023
Non-β Lactam Inhibitors of the Serine β-Lactamase blaCTX-M15 in Drug-Resistant <i>Salmonella typhi</i>
Faisal Ahmad, Nousheen Parvaiz, Alexander D MacKerell, 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 Computer-Aided Drug Design
|
September 3, 2010
Recent advances in ligand-based drug design: relevance and utility of the conformationally sampled pharmacophore approach
Chayan Acharya, Andrew Coop, James E Polli, et al.
Journal of Computational Chemistry
|
December 23, 2006
CHARMM force field parameters for simulation of reactive intermediates in native and thio-substituted ribozymes
Evelyn Mayaan, Adam Moser, Alexander D MacKerell, et al.
Journal of Chemical Theory and Computation
|
June 12, 2012
CHARMM Additive All-Atom Force Field for Phosphate and Sulfate Linked to Carbohydrates
Sairam S Mallajosyula, Olgun Guvench, Elizabeth Hatcher, et al.
Journal of Computational Chemistry
|
May 9, 2018
Combining the polarizable Drude force field with a continuum electrostatic Poisson-Boltzmann implicit solvation model
Alexey Aleksandrov, Fang-Yu Lin, Benoît Roux, et al.
Page
of 41
Search research articles
Search
Showing results (141-150 of 402) with videos related to
Sort By:
Page
of 41
The Journal of Physical Chemistry. A
|
January 25, 2013
Impact of geometry optimization on base-base stacking interaction energies in the canonical A- and B-forms of DNA
Ashley Ringer McDonald, Elizabeth J Denning, Alexander D MacKerell
Biopolymers
|
May 25, 2013
Polarizable empirical force field for acyclic polyalcohols based on the classical Drude oscillator
Xibing He, Pedro E M Lopes, Alexander D Mackerell
Advances in Experimental Medicine and Biology
|
February 6, 2026
Computational Ligand-Binding Site Prediction
Erik B Nordquist, Frank T Horrigan, Alexander D MacKerell
The Journal of Physical Chemistry. B
|
July 10, 2010
Atomistic simulation study of linear alkylbenzene sulfonates at the water/air interface
Xibing He, Olgun Guvench, Alexander D Mackerell, et al.
Journal of Chemical Information and Modeling
|
October 17, 2023
Non-β Lactam Inhibitors of the Serine β-Lactamase blaCTX-M15 in Drug-Resistant <i>Salmonella typhi</i>
Faisal Ahmad, Nousheen Parvaiz, Alexander D MacKerell, 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 Computer-Aided Drug Design
|
September 3, 2010
Recent advances in ligand-based drug design: relevance and utility of the conformationally sampled pharmacophore approach
Chayan Acharya, Andrew Coop, James E Polli, et al.
Journal of Computational Chemistry
|
December 23, 2006
CHARMM force field parameters for simulation of reactive intermediates in native and thio-substituted ribozymes
Evelyn Mayaan, Adam Moser, Alexander D MacKerell, et al.
Journal of Chemical Theory and Computation
|
June 12, 2012
CHARMM Additive All-Atom Force Field for Phosphate and Sulfate Linked to Carbohydrates
Sairam S Mallajosyula, Olgun Guvench, Elizabeth Hatcher, et al.
Journal of Computational Chemistry
|
May 9, 2018
Combining the polarizable Drude force field with a continuum electrostatic Poisson-Boltzmann implicit solvation model
Alexey Aleksandrov, Fang-Yu Lin, Benoît Roux, et al.
Page
of 41