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Journal of Chemical Theory and Computation
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November 10, 2017
Implicit Solvation Using the Superposition Approximation (IS-SPA): An Implicit Treatment of the Nonpolar Component to Solvation for Simulating Molecular Aggregation
Peter T Lake, Martin McCullagh
Journal of Chemical Theory and Computation
|
August 20, 2016
Deriving Coarse-Grained Charges from All-Atom Systems: An Analytic Solution
Peter McCullagh, Peter T Lake, Martin McCullagh
The Journal of Physical Chemistry. B
|
December 5, 2018
Initial Aggregation and Ordering Mechanism of Diphenylalanine from Microsecond All-Atom Molecular Dynamics Simulations
Jakob Anderson, Peter T Lake, Martin McCullagh
Journal of Chemical Theory and Computation
|
January 11, 2021
Implicit Solvation Using the Superposition Approximation (IS-SPA): Extension to Peptides in a Polar Solvent
Peter T Lake, Max A Mattson, Martin McCullagh
Journal of Chemical Theory and Computation
|
April 7, 2020
Residue-Level Allostery Propagates through the Effective Coarse-Grained Hessian
Peter T Lake, Russell B Davidson, Heidi Klem, et al.
The Journal of Physical Chemistry. B
|
April 24, 2018
Elucidating Structural Evolution of Perylene Diimide Aggregates Using Vibrational Spectroscopy and Molecular Dynamics Simulations
Max A Mattson, Thomas D Green, Peter T Lake, et al.
Page
of 1
Search research articles
Search
Showing results (1-10 of 6) with videos related to
Sort By:
Page
of 1
Journal of Chemical Theory and Computation
|
November 10, 2017
Implicit Solvation Using the Superposition Approximation (IS-SPA): An Implicit Treatment of the Nonpolar Component to Solvation for Simulating Molecular Aggregation
Peter T Lake, Martin McCullagh
Journal of Chemical Theory and Computation
|
August 20, 2016
Deriving Coarse-Grained Charges from All-Atom Systems: An Analytic Solution
Peter McCullagh, Peter T Lake, Martin McCullagh
The Journal of Physical Chemistry. B
|
December 5, 2018
Initial Aggregation and Ordering Mechanism of Diphenylalanine from Microsecond All-Atom Molecular Dynamics Simulations
Jakob Anderson, Peter T Lake, Martin McCullagh
Journal of Chemical Theory and Computation
|
January 11, 2021
Implicit Solvation Using the Superposition Approximation (IS-SPA): Extension to Peptides in a Polar Solvent
Peter T Lake, Max A Mattson, Martin McCullagh
Journal of Chemical Theory and Computation
|
April 7, 2020
Residue-Level Allostery Propagates through the Effective Coarse-Grained Hessian
Peter T Lake, Russell B Davidson, Heidi Klem, et al.
The Journal of Physical Chemistry. B
|
April 24, 2018
Elucidating Structural Evolution of Perylene Diimide Aggregates Using Vibrational Spectroscopy and Molecular Dynamics Simulations
Max A Mattson, Thomas D Green, Peter T Lake, et al.
Page
of 1