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Demerdash, Omar
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1

Drugging the entire human proteome: Are we there yet?:

Smith, Micholas Dean ; Darryl Quarles, L. ; Demerdash, Omar.
Drug Discovery Today.  29 (2024)  3 - p. 103891 , 2024
Link: https://doi.org/10.1016/..
 
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2

Accurate prediction of carbon dioxide capture by deep eutec..:

Mohan, Mood ; Demerdash, Omar ; Simmons, Blake A....
Green Chemistry.  25 (2023)  9 - p. 3475-3492 , 2023
Link: https://doi.org/10.1039/..
 
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3

Predictive understanding of the surface tension and velocit..:

Mohan, Mood ; Smith, Micholas Dean ; Demerdash, Omar..
The Journal of Chemical Physics.  158 (2023)  21 - p. , 2023
Link: https://doi.org/10.1063/..
 
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4

Structural and functional characterization of NEMO cleavage..:

Hameedi, Mikhail A. ; T. Prates, Erica ; Garvin, Michael R....
Nature Communications.  13 (2022)  1 - p. , 2022
Link: https://doi.org/10.1038/..
 
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5

Potential Pathogenicity Determinants Identified from Struct..:

Prates, Erica T ; Garvin, Michael R ; Pavicic, Mirko...
Molecular Biology and Evolution.  38 (2020)  2 - p. 702-715 , 2020
Link: https://doi.org/10.1093/..
 
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6

Prediction of peptide binding to MHC using machine learning..:

Aranha, Michelle P. ; Spooner, Catherine ; Demerdash, Omar...
Biochimica et Biophysica Acta (BBA) - General Subjects.  1864 (2020)  4 - p. 129535 , 2020
Link: https://doi.org/10.1016/..
 
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7

Using Small-Angle Scattering Data and Parametric Machine Le..:

Demerdash, Omar ; Shrestha, Utsab R. ; Petridis, Loukas...
Frontiers in Molecular Biosciences.  6 (2019)  - p. , 2019
Link: https://doi.org/10.3389/..
 
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8

Assessing many-body contributions to intermolecular interac..:

Demerdash, Omar ; Mao, Yuezhi ; Liu, Tianyi..
The Journal of Chemical Physics.  147 (2017)  16 - p. , 2017
Link: https://doi.org/10.1063/..
 
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9

Advanced models for water simulations:

Demerdash, Omar ; Wang, Lee‐Ping ; Head‐Gordon, Teresa
WIREs Computational Molecular Science.  8 (2017)  1 - p. , 2017
Link: https://doi.org/10.1002/..
 
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10

Assessing Ion–Water Interactions in the AMOEBA Force Field ..:

Mao, Yuezhi ; Demerdash, Omar ; Head-Gordon, Martin.
Journal of Chemical Theory and Computation.  12 (2016)  11 - p. 5422-5437 , 2016
Link: https://doi.org/10.1021/..
 
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11

Convergence of the Many-Body Expansion for Energy and Force..:

Demerdash, Omar ; Head-Gordon, Teresa
Journal of Chemical Theory and Computation.  12 (2016)  8 - p. 3884-3893 , 2016
Link: https://doi.org/10.1021/..
 
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12

Parallel implementation of approximate atomistic models of ..:

Demerdash, Omar ; Head-Gordon, Teresa
Chemical Physics Letters.  664 (2016)  - p. 191-198 , 2016
Link: https://doi.org/10.1016/..
 
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13

An efficient and stable hybrid extended Lagrangian/self-con..:

Albaugh, Alex ; Demerdash, Omar ; Head-Gordon, Teresa
The Journal of Chemical Physics.  143 (2015)  17 - p. , 2015
Link: https://doi.org/10.1063/..
 
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14

Advanced Potential Energy Surfaces for Condensed Phase Simu..:

Demerdash, Omar ; Yap, Eng-Hui ; Head-Gordon, Teresa
Annual Review of Physical Chemistry.  65 (2014)  1 - p. 149-174 , 2014
Link: https://doi.org/10.1146/..
 
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15

Physics-Based Machine Learning Models Predict Carbon Dioxid..:

Mohan, Mood ; Demerdash, Omar N. ; Simmons, Blake A....
ACS Omega.  9 (2024)  17 - p. 19548-19559 , 2024
Link: https://doi.org/10.1021/..
 
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