Search Results - "Demerdash, N."

CryptoSite: Expanding the Druggable Proteome by Characterization and Prediction of Cryptic Binding Sites by Cimermancic, Peter, Weinkam, Patrick, Rettenmaier, T. Justin, Bichmann, Leon, Keedy, Daniel A., Woldeyes, Rahel A., Schneidman-Duhovny, Dina, Demerdash, Omar N., Mitchell, Julie C., Wells, James A., Fraser, James S., Sali, Andrej

“…Many proteins have small-molecule binding pockets that are not easily detectable in the ligand-free structures. These cryptic sites require a conformational…”
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Expression of nestin by neural cells in the adult rat and human brain by Hendrickson, Michael L, Rao, Abigail J, Demerdash, Omar N A, Kalil, Ronald E

“…Neurons and glial cells in the developing brain arise from neural progenitor cells (NPCs). Nestin, an intermediate filament protein, is thought to be expressed…”
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Using diverse potentials and scoring functions for the development of improved machine-learned models for protein–ligand affinity and docking pose prediction by Demerdash, Omar N. A.

“…The advent of computational drug discovery holds the promise of significantly reducing the effort of experimentalists, along with monetary cost. More…”
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TCR-H: explainable machine learning prediction of T-cell receptor epitope binding on unseen datasets by T, Rajitha Rajeshwar, Demerdash, Omar N A, Smith, Jeremy C

“…Artificial-intelligence and machine-learning (AI/ML) approaches to predicting T-cell receptor (TCR)-epitope specificity achieve high performance metrics on…”
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Solution structure of human myeloid-derived growth factor suggests a conserved function in the endoplasmic reticulum by Bortnov, Valeriu, Tonelli, Marco, Lee, Woonghee, Lin, Ziqing, Annis, Douglas S., Demerdash, Omar N., Bateman, Alex, Mitchell, Julie C., Ge, Ying, Markley, John L., Mosher, Deane F.

“…Human myeloid-derived growth factor (hMYDGF) is a 142-residue protein with a C-terminal endoplasmic reticulum (ER) retention sequence (ERS). Extracellular…”
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Fault-Tolerant Operation of Delta-Connected Scalar- and Vector-Controlled AC Motor Drives by Sayed-Ahmed, A., Demerdash, N. A. O.

“…Operation and analysis of delta-connected ac motor-drive systems under fault-tolerant open-phase mode of operation is introduced in this paper for both scalar-…”
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Rotor Bar Fault Monitoring Method Based on Analysis of Air-Gap Torques of Induction Motors by da Silva, Aderiano M., Povinelli, R. J., Demerdash, N. A. O.

“…A robust method to monitor the operating conditions of induction motors is presented. This method utilizes the data analysis of the air-gap torque profile in…”
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Physics-Based Machine Learning Models Predict Carbon Dioxide Solubility in Chemically Reactive Deep Eutectic Solvents by Mohan, Mood, Demerdash, Omar N., Simmons, Blake A., Singh, Seema, Kidder, Michelle K., Smith, Jeremy C.

“…Carbon dioxide (CO2) is a detrimental greenhouse gas and is the main contributor to global warming. In addressing this environmental challenge, a promising…”
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Structure-based predictive models for allosteric hot spots by Demerdash, Omar N A, Daily, Michael D, Mitchell, Julie C

“…In allostery, a binding event at one site in a protein modulates the behavior of a distant site. Identifying residues that relay the signal between sites…”
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Improvements to the AMOEBA Force Field by Introducing Anisotropic Atomic Polarizability of the Water Molecule by Das, Akshaya K, Demerdash, Omar N, Head-Gordon, Teresa

“…In this work, we have developed an anisotropic polarizable model for the AMOEBA force field that is derived from electrostatic fitting on a gas phase water…”
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Density-cluster NMA: A new protein decomposition technique for coarse-grained normal mode analysis by Demerdash, Omar N. A., Mitchell, Julie C.

“…Normal mode analysis has emerged as a useful technique for investigating protein motions on long time scales. This is largely due to the advent of…”
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Using physical potentials and learned models to distinguish native binding interfaces from de novo designed interfaces that do not bind by Demerdash, Omar N. A., Mitchell, Julie C.

“…Protein–protein interactions are a fundamental aspect of many biological processes. The advent of recombinant protein and computational techniques has allowed…”
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Accurate Machine Learning for Predicting the Viscosities of Deep Eutectic Solvents by Mohan, Mood, Jetti, Karuna Devi, Smith, Micholas Dean, Demerdash, Omar N., Kidder, Michelle K., Smith, Jeremy C.

“…Deep eutectic solvents (DESs) are emerging as environmentally friendly designer solvents for mass transport and heat transfer processes in industrial…”
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A Reconfigurable Motor for Experimental Emulation of Stator Winding Interturn and Broken Bar Faults in Polyphase Induction Machines by Yeh, C.-C., Sizov, G.Y., Sayed-Ahmed, A., Demerdash, N., Povinelli, R.J., Yaz, E.E., Ionel, D.M.

“…The benefits and drawbacks of a 5-hp reconfigurable induction motor, which was designed for experimental emulation of stator winding interturn and broken rotor…”
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Diagnosis and characterization of effects of broken bars and connectors in squirrel-cage induction motors by a time-stepping coupled finite element-state space modeling approach by Bangura, J.F., Demerdash, N.A.

“…In this paper, a comprehensive presentation of a time-stepping coupled finite element-state space modeling approach for diagnosis and characterization of…”
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Data-driven models for protein interaction and design by Zhu, Xiaolei, Ericksen, Spencer S., Demerdash, Omar N. A., Mitchell, Julie C.

“…ABSTRACT We describe methods and results for four new types of challenge in the Critical Assessment of PRedicted Interactions (CAPRI). Two new challenges asked…”
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Advanced Potential Energy Surfaces for Molecular Simulation by Albaugh, Alex, Boateng, Henry A, Bradshaw, Richard T, Demerdash, Omar N, Dziedzic, Jacek, Mao, Yuezhi, Margul, Daniel T, Swails, Jason, Zeng, Qiao, Case, David A, Eastman, Peter, Wang, Lee-Ping, Essex, Jonathan W, Head-Gordon, Martin, Pande, Vijay S, Ponder, Jay W, Shao, Yihan, Skylaris, Chris-Kriton, Todorov, Ilian T, Tuckerman, Mark E, Head-Gordon, Teresa

“…Advanced potential energy surfaces are defined as theoretical models that explicitly include many-body effects that transcend the standard fixed-charge,…”
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Simulation of inverter-fed induction motor drives with pulse-width modulation by a time-stepping coupled finite element-flux linkage-based state space model by Bangura, J.F., Demerdash, N.A.

“…In this paper, a detailed description of the simulation of inverter-fed induction motors in adjustable speed drives by a time-stepping flux linkage-based…”
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Exploring the role of plant lysin motif receptor-like kinases in regulating plant-microbe interactions in the bioenergy crop Populus by Cope, Kevin R., Prates, Erica T., Miller, John I., Demerdash, Omar N.A., Shah, Manesh, Kainer, David, Cliff, Ashley, Sullivan, Kyle A., Cashman, Mikaela, Lane, Matthew, Matthiadis, Anna, Labbé, Jesse, Tschaplinski, Timothy J., Jacobson, Daniel A., Kalluri, Udaya C.

“…For plants, distinguishing between mutualistic and pathogenic microbes is a matter of survival. All microbes contain microbe-associated molecular patterns…”
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Modeling and Parametric Design of Permanent-Magnet AC Machines Using Computationally Efficient Finite-Element Analysis by Sizov, G. Y., Ionel, D. M., Demerdash, N. A. O.

“…Computationally efficient finite-element analysis (FEA) (CE-FEA) fully exploits the symmetries of electric and magnetic circuits of sine-wave current-regulated…”
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