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1 . Report
Fast calculation of two-electron-repulsion integrals: a numerical approach
저자
by
Lopes, Pedro E. M.
.
소스
Open Access (Arxiv)
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3 . Periodical
Polarizable Force Field for Molecular Ions Based on the Classical Drude Oscillator
저자
by
Lin, Fang-Yu
;
Lopes, Pedro E. M.
;
Harder, Edward
;
Roux, Benoît
;
MacKerell, Alexander D.
.
소스
Journal of Chemical Information and Modeling; 20240101, Issue: Preprints
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7 . Academic Journal
Glucosylpolyphenols as Inhibitors of Aβ-Induced Fyn Kinase Activation and Tau Phosphorylation: Synthesis, Membrane Permeability, and Exploratory Target Assessment within the Scope of Type 2 Diabetes and Alzheimer's Disease.
저자
by
de Matos, Ana M.
;
Blázquez-Sánchez, M. Teresa
;
Bento-Oliveira, Andreia
;
de Almeida, Rodrigo F. M.
;
Nunes, Rafael
, et al.
소스
Journal of Medicinal Chemistry; 10/22/2020, Vol. 63 Issue 20, p11663-11690, 28p
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7 . Academic Journal
Kirkwood-Buff analysis of aqueous N-methylacetamide and acetamide solutions modeled by the CHARMM additive and Drude polarizable force fields.
저자
by
Lin, Bin
;
Lopes, Pedro E. M.
;
Roux, Benoı⁁t
;
MacKerell, Alexander D.
.
소스
Journal of Chemical Physics
. Aug2013, Vol. 139 Issue 8, p084509. 11p. 2 Diagrams, 5 Charts, 7 Graphs.
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6 . Academic Journal
Polarizable Force Field for Molecular Ions Based on the Classical Drude Oscillator.
저자
by
Fang-Yu Lin
;
Lopes, Pedro E. M.
;
Harder, Edward
;
Roux, Benoît
;
MacKerell Jr., Alexander D.
.
소스
Journal of Chemical Information & Modeling; 5/29/2018, Vol. 58 Issue 5, p993-1004, 12p
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7 . Academic Journal
Glucosylpolyphenols as Inhibitors of A beta-Induced Fyn Kinase Activation and Tau Phosphorylation: Synthesis, Membrane Permeability, and Exploratory Target Assessment within the Scope of Type 2 Diabetes and Alzheimer's Disease
저자
by
de Matos, Ana M.
;
Blazquez-Sanchez, M. Teresa
;
Bento-Oliveira, Andreia
;
de Almeida, Rodrigo F. M.
;
Nunes, Rafael
, et al.
소스
JOURNAL OF MEDICINAL CHEMISTRY
; OCT 22 2020, 63 20, p11663-p11690, 28p.
Full Text (ACS)
Scopus
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7 . Book
Current Status of Protein Force Fields for Molecular Dynamics Simulations.
저자
by
Lopes, Pedro E. M.
;
Guvench, Olgun
;
MacKerell Jr., Alexander D.
.
소스
Molecular Modeling of Proteins (9781493914647); 2015, p47-71, 25p
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5 . Academic Journal
Polarizable Empirical Force Field for Acyclic Polyalcohols Based on the Classical Drude Oscillator.
저자
by
He, Xibing
;
Lopes, Pedro E. M.
;
MacKerell, Alexander D.
.
소스
Biopolymers; Oct2013, Vol. 99 Issue 10, p724-738, 15p
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5 . Academic Journal
A Polarizable Force Field of DipalmitoylphosphatidylcholineBased on the Classical Drude Model for Molecular Dynamics Simulationsof Lipids.
저자
by
Chowdhary, Janamejaya
;
Harder, Edward
;
Lopes, Pedro E. M.
;
Huang, Lei
;
MacKerell, Alexander D.
, et al.
소스
Journal of Physical Chemistry B
. Aug2013, Vol. 117 Issue 31, p9142-9160. 19p.
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7 . Academic Journal
Small Molecule Antivirulents Targeting the Iron-Regulated Heme Oxygenase (HemO) of P. aeruginosa.
저자
by
Hom, Kellie
;
Heinzl, Geoffrey A.
;
Eakanunkul, Suntara
;
Lopes, Pedro E. M.
;
Xue, Fengtian
, et al.
소스
Journal of Medicinal Chemistry
. 3/14/2013, Vol. 56 Issue 5, p2097-2109. 13p.
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