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Articles 7291 - 7320 of 10793
Full-Text Articles in Entire DC Network
Distribution And Conservation Status Of Antillean Manatees (Trichechus Manatus Manatus) In Honduras, Daniel González-Socoloske, Cynthia R. Taylor, Olivia R. Rendon Thompson
Distribution And Conservation Status Of Antillean Manatees (Trichechus Manatus Manatus) In Honduras, Daniel González-Socoloske, Cynthia R. Taylor, Olivia R. Rendon Thompson
Faculty Publications
The Antillean manatee, Trichechus manatus manatus, is among the most threatened mammals in Honduras, yet the last published study is from 1980. Since then, the North Coast of Honduras has experienced rapid population growth and land cover change possibly causing habitat loss for manatees. We conducted aerial, boat, and interview surveys between 2005-2007 along the northern and remote eastern coasts of Honduras to assess the current status and distribution of manatees. In addition, we compiled all available data on manatee mortality from museum specimens, unpublished reports, and interviews to determine current threats. We averaged 1.2 manatee sightings per survey hour …
Conceptual Modeling Foundations For A Web Of Knowledge, David W. Embley, Stephen W. Liddle, Deryle W. Lonsdale
Conceptual Modeling Foundations For A Web Of Knowledge, David W. Embley, Stephen W. Liddle, Deryle W. Lonsdale
Faculty Publications
The semantic web purports to be a web of knowledge that can answer our questions, help us reason about everyday problems as well as scientific endeavors, and service many of our wants and needs. Researchers and others expound various views about exactly what this means. Here we propose an answer with conceptual modeling as its foundation. We define a web of knowledge as a collection of interconnected knowledge bundles superimposed over a web of documents. Knowledge bundles are conceptual model instances augmented with facilities that provide for both extensional and intensional facts, for linking between knowledge bundles yielding a web …
Diffusion And Random Walks, Lewis Ludwig, Annabel Edwards
Diffusion And Random Walks, Lewis Ludwig, Annabel Edwards
Faculty Publications
No abstract provided.
Diets Of Three Species Of Bufonids (Amphibia, Anura) From Northern Mexico, Geoffrey R. Smith, J. A. Lemos-Espinal, A. B. Burner, K. E. Winter, C. B. Dayer
Diets Of Three Species Of Bufonids (Amphibia, Anura) From Northern Mexico, Geoffrey R. Smith, J. A. Lemos-Espinal, A. B. Burner, K. E. Winter, C. B. Dayer
Faculty Publications
No abstract provided.
Effects Of Mosquitofish (Gambusia Affinis) Cues On Wood Frog (Lithobates Sylvaticus) Tadpole Activity, K. F. Buttermore, P. N. Litkenhaus, D. C. Torpey, Geoffrey R. Smith, Jessica E. Rettig
Effects Of Mosquitofish (Gambusia Affinis) Cues On Wood Frog (Lithobates Sylvaticus) Tadpole Activity, K. F. Buttermore, P. N. Litkenhaus, D. C. Torpey, Geoffrey R. Smith, Jessica E. Rettig
Faculty Publications
No abstract provided.
Body Temperatures Of Hyla Arenicolor From Sierra De Tepozotlan, Estado De Mexico, Mexico, F. Correa-Sanchez, Geoffrey R. Smith, G. A. Woolrich-Pina, J. A. Lemos-Espinal
Body Temperatures Of Hyla Arenicolor From Sierra De Tepozotlan, Estado De Mexico, Mexico, F. Correa-Sanchez, Geoffrey R. Smith, G. A. Woolrich-Pina, J. A. Lemos-Espinal
Faculty Publications
No abstract provided.
The Effects Of Temperature And Salinity On Wood Frog (Lithobates Sylvaticus) Tadpole Growth And Survival, J. H. Clemmer, E. Z. Miller, Geoffrey R. Smith, Jessica E. Rettig
The Effects Of Temperature And Salinity On Wood Frog (Lithobates Sylvaticus) Tadpole Growth And Survival, J. H. Clemmer, E. Z. Miller, Geoffrey R. Smith, Jessica E. Rettig
Faculty Publications
No abstract provided.
Labor Pains In The Academy, Lisa M. Tillmann Ph.D.
Labor Pains In The Academy, Lisa M. Tillmann Ph.D.
Faculty Publications
This piece offers autoethnographic reflections on crossroads to which many academics come: whether to seek (or postpone or avoid) parenthood and when. The author deeply explores the personal (her own trajectories from daughter and sister to potential mother and from graduate student to full professor) in order to reflect on structural constraints associated with graduate education, the academic job market, and institutional policies and politics.
A Response To Justice Thomas Brennan's Remarks At The Thomas M. Cooley Law School Article V Symposium, William W. Van Alstyne
A Response To Justice Thomas Brennan's Remarks At The Thomas M. Cooley Law School Article V Symposium, William W. Van Alstyne
Faculty Publications
No abstract provided.
Exporting Subjects: Globalizing Family Law Progress Through International Human Rights, Cyra Akila Choudhury
Exporting Subjects: Globalizing Family Law Progress Through International Human Rights, Cyra Akila Choudhury
Faculty Publications
This article examines the global export of domestic U.S. legal projects and strategies in the realm of family law and gender justice to South Asia. While such projects have undoubtedly achieved substantial gains for women in the U.S., there have also been costs. At a remove of two decades, scholars have now begun to theorize those costs and argue that feminism needs to reconsider its commitments to particular projects that have been held central to women’s emancipation. Yet much of these critiques have not reached the transnational women’s movements that are led by U.S. feminist activists and scholars. Relying on …
Subject To Surveillance: Genocide Law As Epistemology Of The Object, Tawia Baidoe Ansah
Subject To Surveillance: Genocide Law As Epistemology Of The Object, Tawia Baidoe Ansah
Faculty Publications
This article analyzes the discourse on genocide from two angles: the legal genesis of the term in the 1940s and subsequent legal "capture" of the concept of genocide, and a recent socio-political critique of the legal meaning of genocide. The article suggests that a cross-disciplinary critique of genocidal violence not only describes the event and the victim, but also produces knowledge of them as discursive "objects." The key issue is the "surveillance" role of the outside observer, also produced as such in discursive relation to the object. At stake in this view of genocide law as epistemology is the capacity …
The Influence Of Depressive Symptomatology And Perceived Stress On Plasma And Salivary Oxytocin Before, During And After A Support Enhancement Intervention, Wendy C. Birmingham, Julianne Holt-Lunstad, Kathleen C. Light
The Influence Of Depressive Symptomatology And Perceived Stress On Plasma And Salivary Oxytocin Before, During And After A Support Enhancement Intervention, Wendy C. Birmingham, Julianne Holt-Lunstad, Kathleen C. Light
Faculty Publications
Oxytocin (OT) activity increases in response to stress as well as to warm social contact. Subclinical depression is associated with higher stress but less reward from social contacts. The present investigation was intended to examine whether husbands and wives with high depressive symptomatology scores have increased plasma and salivary OT that may be mediated partly by higher perceived stress, and also to assess whether an intervention to convey partner support through ‘‘warm touch’’ may reduce effects of depressive symptoms on OT. In this study, 34 healthy married couples (n = 68) ages 20—39 provided self reports of depressive symptoms (CESD) …
Understanding Streaming In Dictyostelium Discoideum: Theory Versus Experiments, J. C. Dallon, Brittany Dalton, Chelsea Malani
Understanding Streaming In Dictyostelium Discoideum: Theory Versus Experiments, J. C. Dallon, Brittany Dalton, Chelsea Malani
Faculty Publications
Recent experimental work involving Dictyostelium discoideum seems to contradict several theoretical models. Experiments suggest that localization of the release of the chemoattractant cyclic adenosine monophosphate to the uropod of the cell is important for stream formation during aggregation. Yet several mathematical models are able to reproduce streaming as the cells aggregate without taking into account localization of the chemoattractant. A careful analysis of the experiments and the theory suggests the two major features of the system which are important to stream formation are random cell motion and chemotaxis to regions of higher cell density. Random cell motion acts to reduce …
Necessity Of Hippocampal Neurogenesis For The Therapeutic Action Of Antidepressants In Adult Nonhuman Primates, Tarique D. Perera, Andrew J. Dwork, Kathryn A. Keegan, Lakshmi Thirumangalakudi, Cecilia M. Lipira, Niamh Joyce, Christopher Lange, James Dee Higley, Gorazd Rosoklija, Rene Hen, Harold A. Sackeim, Jeremy D. Coplan
Necessity Of Hippocampal Neurogenesis For The Therapeutic Action Of Antidepressants In Adult Nonhuman Primates, Tarique D. Perera, Andrew J. Dwork, Kathryn A. Keegan, Lakshmi Thirumangalakudi, Cecilia M. Lipira, Niamh Joyce, Christopher Lange, James Dee Higley, Gorazd Rosoklija, Rene Hen, Harold A. Sackeim, Jeremy D. Coplan
Faculty Publications
Background: Rodent studies show that neurogenesis is necessary for mediating the salutary effects of antidepressants. Nonhuman primate (NHP) studies may bridge important rodent findings to the clinical realm since NHP-depression shares significant homology with human depression and kinetics of primate neurogenesis differ from those in rodents. After demonstrating that antidepressants can stimulate neurogenesis in NHPs, our present study examines whether neurogenesis is required for antidepressant efficacy in NHPs. Materials/Methodology: Adult female bonnets were randomized to three social pens (N = 6 each). Pen-1 subjects were exposed to control-conditions for 15 weeks with half receiving the antidepressant fluoxetine and the rest …
The Interpersonal Theory Of Suicide, Scott R. Braithwaite, Kimberly Van Orden, Tracy K. Witte, Kelly C. Cukrowicz, Edward A. Selby, Thomas E. Joiner Jr.
The Interpersonal Theory Of Suicide, Scott R. Braithwaite, Kimberly Van Orden, Tracy K. Witte, Kelly C. Cukrowicz, Edward A. Selby, Thomas E. Joiner Jr.
Faculty Publications
Suicidal behavior is a major problem worldwide and at the same time has received relatively little empirical attention. This relative lack of empirical attention may be due in part to a relative absence of theory development regarding suicidal behavior. The current paper presents the Interpersonal Theory of Suicidal Behavior. We propose that the most dangerous form of suicidal desire is caused by the simultaneous presence of two interpersonal constructs—thwarted belongingness and perceived burdensomeness (and hopelessness about these states)—and further, that the capability to engage in suicidal behavior is separate from the desire to engage in suicidal behavior. According to the …
Social Support And The Reactivity Hypothesis: Conceptual Issues In Examining The Efficacy Of Received Support During Acute Psychological Stress, Wendy C. Birmingham, Bert N. Uchino, Mckenzie Carlisle, Allison A. Vaughn
Social Support And The Reactivity Hypothesis: Conceptual Issues In Examining The Efficacy Of Received Support During Acute Psychological Stress, Wendy C. Birmingham, Bert N. Uchino, Mckenzie Carlisle, Allison A. Vaughn
Faculty Publications
Social support has been reliably related to better physical health outcomes. One influential model suggests that social support is related to lower cardiovascular disease mortality because it reduces the potentially deleterious consequences of cardiovascular reactivity during acute stress. However, received support and perceived support are separable constructs and epidemiological research suggests variability in links between received support and health. This is important because most social support and acute laboratory stress studies are essentially based on the receipt of support. In this paper, we focus on the conceptualization of received support and its implications for understanding links to support laboratory reactivity …
Religiosity In Adolescence And Emerging Adulthood, Carolyn Mcnamara Barry, Larry J. Nelson
Religiosity In Adolescence And Emerging Adulthood, Carolyn Mcnamara Barry, Larry J. Nelson
Faculty Publications
According to IEA Civic Education Study, approximately half of American adolescents participate in religious groups (Torney-Purta et al. 2001) and half of American 18–24-year-olds report religious beliefs to be important (Inglehart et al. 2004). Thus, religious experiences are an important aspect of the lives of many adolescents and emerging adults (approximately ages 18 to the mid-20s) in the USA. Specifically, adolescents are fully immersed in identity exploration and ideally resolve this search in emerging adulthood. They embark on a quest to solidify their values and beliefs about countless issues, including religiosity. This essay will review the literature on religiosity among …
In Vivo Evidence For The Iron-Binding Activity Of An Iron-Sulfur Cluster Assembly Protein Isca In Escherichia Coli, Wu Wang, Hao Huang, Guoqiang Tan, Fan Si, Min Liu, Aaron P. Landry, Jianxin Lu, Huangen Ding
In Vivo Evidence For The Iron-Binding Activity Of An Iron-Sulfur Cluster Assembly Protein Isca In Escherichia Coli, Wu Wang, Hao Huang, Guoqiang Tan, Fan Si, Min Liu, Aaron P. Landry, Jianxin Lu, Huangen Ding
Faculty Publications
IscA is a key member of the iron-sulfur cluster assembly machinery in prokaryotic and eukaryotic organisms; however, the physiological function of IscA still remains elusive. In the present paper we report the in vivo evidence demonstrating the iron-binding activity of IscA in Escherichia coli cells. Supplement of exogenous iron (1 μM) in M9 minimal medium is sufficient to maximize the iron binding in IscA expressed in E. coli cells under aerobic growth conditions. In contrast, IscU, an iron-sulfur cluster assembly scaffold protein, or CyaY, a bacterial frataxin homologue, fails to bind any iron in E. coli cells under the same …
Source Identification In Two Criminal Cases Using Phylogenetic Analysis Of Hiv-1 Dna Sequences, Diane I. Scaduto, Jeremy M. Brown, Wade C. Haaland, Derrick J. Zwickl, David M. Hillis, Michael L. Metzker
Source Identification In Two Criminal Cases Using Phylogenetic Analysis Of Hiv-1 Dna Sequences, Diane I. Scaduto, Jeremy M. Brown, Wade C. Haaland, Derrick J. Zwickl, David M. Hillis, Michael L. Metzker
Faculty Publications
Phylogenetic analysis has been widely used to test the a priori hypothesis of epidemiological clustering in suspected transmission chains of HIV-1. Among studies showing strong support for relatedness between HIV samples obtained from infected individuals, evidence for the direction of transmission between epidemiologically related pairs has been lacking. During transmission of HIV, a genetic bottleneck occurs, resulting in the paraphyly of source viruses with respect to those of the recipient. This paraphyly establishes the direction of transmission, from which the source can then be inferred. Here, we present methods and results from two criminal cases, State of Washington v Anthony …
Identifying The Quantum Correlations In Light-Harvesting Complexes, Kamil Brádler, Mark M. Wilde, Sai Vinjanampathy, Dmitry B. Uskov
Identifying The Quantum Correlations In Light-Harvesting Complexes, Kamil Brádler, Mark M. Wilde, Sai Vinjanampathy, Dmitry B. Uskov
Faculty Publications
One of the major efforts in the quantum biological program is to subject biological systems to standard tests or measures of quantumness. These tests and measures should elucidate whether nontrivial quantum effects may be present in biological systems. Two such measures of quantum correlations are the quantum discord and the relative entropy of entanglement. Here, we show that the relative entropy of entanglement admits a simple analytic form when dynamics and accessible degrees of freedom are restricted to a zero- and single-excitation subspace. We also simulate and calculate the amount of quantum discord that is present in the Fenna-Matthews-Olson protein …
An Analytic Model Of Neutron Ambient Dose Equivalent And Equivalent Dose For Proton Radiotherapy, Rui Zhang, Angélica Pérez-Andújar, Jonas D. Fontenot, Phillip J. Taddei, Wayne D. Newhauser
An Analytic Model Of Neutron Ambient Dose Equivalent And Equivalent Dose For Proton Radiotherapy, Rui Zhang, Angélica Pérez-Andújar, Jonas D. Fontenot, Phillip J. Taddei, Wayne D. Newhauser
Faculty Publications
Stray neutrons generated in passively scattered proton therapy are of concern because they increase the risk that a patient will develop a second cancer. Several investigations characterized stray neutrons in proton therapy using experimental measurements and Monte Carlo simulations, but capabilities of analytical methods to predict neutron exposures are less well developed. The goal of this study was to develop a new analytical model to calculate neutron ambient dose equivalent in air and equivalent dose in phantom based on Monte Carlo modeling of a passively scattered proton therapy unit. The accuracy of the new analytical model is superior to a …
Estimate Of The Uncertainties In The Relative Risk Of Secondary Malignant Neoplasms Following Proton Therapy And Intensity-Modulated Photon Therapy, Jonas D. Fontenot, Charles Bloch, David Followill, Uwe Titt, Wayne D. Newhauser
Estimate Of The Uncertainties In The Relative Risk Of Secondary Malignant Neoplasms Following Proton Therapy And Intensity-Modulated Photon Therapy, Jonas D. Fontenot, Charles Bloch, David Followill, Uwe Titt, Wayne D. Newhauser
Faculty Publications
Theoretical calculations have shown that proton therapy can reduce the incidence of radiation-induced secondary malignant neoplasms (SMN) compared with photon therapy for patients with prostate cancer. However, the uncertainties associated with calculations of SMN risk had not been assessed. The objective of this study was to quantify the uncertainties in projected risks of secondary cancer following contemporary proton and photon radiotherapies for prostate cancer. We performed a rigorous propagation of errors and several sensitivity tests to estimate the uncertainty in the ratio of relative risk (RRR) due to the largest contributors to the uncertainty: the radiation weighting factor for neutrons, …
Assessment Of Targeting Accuracy Of A Low-Energy Stereotactic Radiosurgery Treatment For Age-Related Macular Degeneration, Phillip J. Taddei, Erik Chell, Steven Hansen, Michael Gertner, Wayne D. Newhauser
Assessment Of Targeting Accuracy Of A Low-Energy Stereotactic Radiosurgery Treatment For Age-Related Macular Degeneration, Phillip J. Taddei, Erik Chell, Steven Hansen, Michael Gertner, Wayne D. Newhauser
Faculty Publications
Age-related macular degeneration (AMD), a leading cause of blindness in the United States, is a neovascular disease that may be controlled with radiation therapy. Early patient outcomes of external beam radiotherapy, however, have been mixed. Recently, a novel multimodality treatment was developed, comprising external beam radiotherapy and concomitant treatment with a vascular endothelial growth factor inhibitor. The radiotherapy arm is performed by stereotactic radiosurgery, delivering a 16 Gy dose in the macula (clinical target volume, CTV) using three external low-energy x-ray fields while adequately sparing normal tissues. The purpose of our study was to test the sensitivity of the delivery …
Adjustment Of The Lateral And Longitudinal Size Of Scanned Proton Beam Spots Using A Pre-Absorber To Optimize Penumbrae And Delivery Efficiency, Uwe Titt, Dragan Mirkovic, Gabriel O. Sawakuchi, Luis A. Perles, Wayne D. Newhauser, Phillip J. Taddei, Radhe Mohan
Adjustment Of The Lateral And Longitudinal Size Of Scanned Proton Beam Spots Using A Pre-Absorber To Optimize Penumbrae And Delivery Efficiency, Uwe Titt, Dragan Mirkovic, Gabriel O. Sawakuchi, Luis A. Perles, Wayne D. Newhauser, Phillip J. Taddei, Radhe Mohan
Faculty Publications
In scanned-beam proton therapy, the beam spot properties, such as the lateral and longitudinal size and the minimum achievable range, are influenced by beam optics, scattering media and drift spaces in the treatment unit. Currently available spot scanning systems offer fewoptions for adjusting these properties. We investigated a method for adjusting the lateral and longitudinal spot size that utilizes downstream plastic pre-absorbers located near a water phantom. The spot size adjustment was characterized usingMonte Carlo simulations of a modified commercial scanned-beam treatment head. Our results revealed that the pre-absorbers can be used to reduce the lateral full width at half …
Methodology For Determining Doses To In-Field, Out-Of-Field And Partially In-Field Organs For Late Effects Studies In Photon Radiotherapy, Rebecca M. Howell, Sarah B. Scarboro, Phillip J. Taddei, Sunil Krishnan, Stephen F. Kry, Wayne D. Newhauser
Methodology For Determining Doses To In-Field, Out-Of-Field And Partially In-Field Organs For Late Effects Studies In Photon Radiotherapy, Rebecca M. Howell, Sarah B. Scarboro, Phillip J. Taddei, Sunil Krishnan, Stephen F. Kry, Wayne D. Newhauser
Faculty Publications
An important but little examined aspect of radiation dosimetry studies involving organs outside the treatment field is how to assess dose to organs that are partially within a treatment field; this question is particularly important for studies intended to measure total absorbed dose in order to predict the risk of radiogenic late effects, such as second cancers. The purpose of this investigation was therefore to establish a method to categorize organs as in-field, out-of-field or partially in-field that would be applicable to both conventional and modern radiotherapy techniques. In this study, we defined guidelines to categorize the organs based on …
Risk Of Second Malignant Neoplasm Following Proton Versus Intensity-Modulated Photon Radiotherapies For Hepatocellular Carcinoma, Phillip J. Taddei, Rebecca M. Howell, Sunil Krishnan, Sarah B. Scarboro, Dragan Mirkovic, Wayne D. Newhauser
Risk Of Second Malignant Neoplasm Following Proton Versus Intensity-Modulated Photon Radiotherapies For Hepatocellular Carcinoma, Phillip J. Taddei, Rebecca M. Howell, Sunil Krishnan, Sarah B. Scarboro, Dragan Mirkovic, Wayne D. Newhauser
Faculty Publications
Hepatocellular carcinoma (HCC), the sixthmost common cancer in theworld, is a global health concern. Radiotherapy for HCC is uncommon, largely because of the likelihood of radiation-induced liver disease, an acute side effect that is often fatal. Proton beam therapy (PBT) and intensity-modulated radiation therapy (IMRT)may offer HCC patients a better option for treating the diseased liver tissue while largely sparing the surrounding tissues, especially the nontumor liver. However, even advanced radiotherapies carry a risk of late effects, including second malignant neoplasms (SMNs). It is unclear whether PBT or IMRT confers less risk of an SMN than the other. The purpose …
Predicted Risks Of Second Malignant Neoplasm Incidence And Mortality Due To Secondary Neutrons In A Girl And Boy Receiving Proton Craniospinal Irradiation, Phillip J. Taddei, Anita Mahajan, Dragan Mirkovic, Rui Zhang, Annelise Giebeler, David Kornguth, Mark Harvey, Shiao Woo, Wayne D. Newhauser
Predicted Risks Of Second Malignant Neoplasm Incidence And Mortality Due To Secondary Neutrons In A Girl And Boy Receiving Proton Craniospinal Irradiation, Phillip J. Taddei, Anita Mahajan, Dragan Mirkovic, Rui Zhang, Annelise Giebeler, David Kornguth, Mark Harvey, Shiao Woo, Wayne D. Newhauser
Faculty Publications
The purpose of this study was to compare the predicted risks of second malignant neoplasm (SMN) incidence and mortality from secondary neutrons for a 9-year-old girl and a 10-year-old boy who received proton craniospinal irradiation (CSI). SMN incidence and mortality from neutrons were predicted from equivalent doses to radiosensitive organs for cranial, spinal and intracranial boost fields. Therapeutic proton absorbed dose and equivalent dose from neutrons were calculated using Monte Carlo simulations. Risks of SMN incidence and mortality in most organs and tissues were predicted by applying risks models from the National Research Council of the National Academies to the …
Cross-Reactivity Virtual Profiling Of The Human Kinome By X-React Kin: A Chemical Systems Biology Approach, Michal Brylinski, Jeffrey Skolnick
Cross-Reactivity Virtual Profiling Of The Human Kinome By X-React Kin: A Chemical Systems Biology Approach, Michal Brylinski, Jeffrey Skolnick
Faculty Publications
Many drug candidates fail in clinical development due to their insufficient selectivity that may cause undesired side effects. Therefore, modern drug discovery is routinely supported by computational techniques, which can identify alternate molecular targets with a significant potential for cross-reactivity. In particular, the development of highly selective kinase inhibitors is complicated by the strong conservation of the ATP-binding site across the kinase family. In this paper, we describe X-ReactKIN, a new machine learning approach that extends the modeling and virtual screening of individual protein kinases to a system level in order to construct a cross-reactivity virtual profile for the human …
Location, Location, Location: Compartmentalization Of Early Events In Leukotriene Biosynthesis (Journal Of Biological Chemistry (2010) 285, (25109-25114)), Marcia E. Newcomer, Nathaniel C. Gilbert
Location, Location, Location: Compartmentalization Of Early Events In Leukotriene Biosynthesis (Journal Of Biological Chemistry (2010) 285, (25109-25114)), Marcia E. Newcomer, Nathaniel C. Gilbert
Faculty Publications
No abstract provided.
Mechanism Of Fiber Assembly: Treatment Of Aβ Peptide Aggregation With A Coarse-Grained United-Residue Force Field, Ana Rojas, Adam Liwo, Dana Browne, Harold A. Scheraga
Mechanism Of Fiber Assembly: Treatment Of Aβ Peptide Aggregation With A Coarse-Grained United-Residue Force Field, Ana Rojas, Adam Liwo, Dana Browne, Harold A. Scheraga
Faculty Publications
The growth mechanism of β-amyloid (Aβ) peptide fibrils was studied by a physics-based coarse-grained united-residue model and molecular dynamics (MD) simulations. To identify the mechanism of monomer addition to an Aβ1-40 fibril, we placed an unstructured monomer at a distance of 20 Å from a fibril template and allowed it to interact freely with the latter. The monomer was not biased towards fibril conformation by either the force field or the MD algorithm. With the use of a coarse-grained model with replica-exchange molecular dynamics, a longer timescale was accessible, making it possible to observe how the monomers probe different binding …