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#ie100: Narendra Modi to Ravish Kumar, the most powerful Indians




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[ASAP] Comparing Cryo-EM Reconstructions and Validating Atomic Model Fit Using Difference Maps

Journal of Chemical Information and Modeling
DOI: 10.1021/acs.jcim.9b01103




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[ASAP] SPREAD: A Fully Automated Toolkit for Single-Particle Cryogenic Electron Microscopy Data 3D Reconstruction with Image-Network-Aided Orientation Assignment

Journal of Chemical Information and Modeling
DOI: 10.1021/acs.jcim.9b01099




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[ASAP] POLARIS: Path of Least Action Analysis on Energy Landscapes

Journal of Chemical Information and Modeling
DOI: 10.1021/acs.jcim.9b01108




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[ASAP] Will Cryo-Electron Microscopy Shift the Current Paradigm in Protein Structure Prediction?

Journal of Chemical Information and Modeling
DOI: 10.1021/acs.jcim.0c00177




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[ASAP] Correction of Missing-Wedge Artifacts in Filamentous Tomograms by Template-Based Constrained Deconvolution

Journal of Chemical Information and Modeling
DOI: 10.1021/acs.jcim.9b01111




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[ASAP] Modeling of a 14 kDa RUVBL2-Binding Domain with Medium Resolution Cryo-EM Density

Journal of Chemical Information and Modeling
DOI: 10.1021/acs.jcim.9b01095




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[ASAP] Development and Evaluation of MM/GBSA Based on a Variable Dielectric GB Model for Predicting Protein–Ligand Binding Affinities

Journal of Chemical Information and Modeling
DOI: 10.1021/acs.jcim.0c00024




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[ASAP] MAINMASTseg: Automated Map Segmentation Method for Cryo-EM Density Maps with Symmetry

Journal of Chemical Information and Modeling
DOI: 10.1021/acs.jcim.9b01110




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[ASAP] Flexible Fitting of Small Molecules into Electron Microscopy Maps Using Molecular Dynamics Simulations with Neural Network Potentials

Journal of Chemical Information and Modeling
DOI: 10.1021/acs.jcim.9b01167




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[ASAP] Simulation-Based Methods for Model Building and Refinement in Cryoelectron Microscopy

Journal of Chemical Information and Modeling
DOI: 10.1021/acs.jcim.0c00087




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[ASAP] Cylindrical Similarity Measurement for Helices in Medium-Resolution Cryo-Electron Microscopy Density Maps

Journal of Chemical Information and Modeling
DOI: 10.1021/acs.jcim.0c00010




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[ASAP] Cov_FB3D: A De Novo Covalent Drug Design Protocol Integrating the BA-SAMP Strategy and Machine-Learning-Based Synthetic Tractability Evaluation

Journal of Chemical Information and Modeling
DOI: 10.1021/acs.jcim.9b01197




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[ASAP] The Synthesizability of Molecules Proposed by Generative Models

Journal of Chemical Information and Modeling
DOI: 10.1021/acs.jcim.0c00174




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[ASAP] Structure- and Ligand-Based Virtual Screening on DUD-E<sup>+</sup>: Performance Dependence on Approximations to the Binding Pocket

Journal of Chemical Information and Modeling
DOI: 10.1021/acs.jcim.0c00115




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[ASAP] Mechanism-Based Rational Discovery and <italic toggle="yes">In Vitro</italic> Evaluation of Novel Microtubule Stabilizing Agents with Non-Taxol-Competitive Activity

Journal of Chemical Information and Modeling
DOI: 10.1021/acs.jcim.9b01133




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[ASAP] Brick-CFCMC: Open Source Software for Monte Carlo Simulations of Phase and Reaction Equilibria Using the Continuous Fractional Component Method

Journal of Chemical Information and Modeling
DOI: 10.1021/acs.jcim.0c00334




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[ASAP] Discovery of Ubiquitin-Specific Protease 7 (USP7) Inhibitors with Novel Scaffold Structures by Virtual Screening, Molecular Dynamics Simulation, and Biological Evaluation

Journal of Chemical Information and Modeling
DOI: 10.1021/acs.jcim.0c00154




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[ASAP] LIT-PCBA: An Unbiased Data Set for Machine Learning and Virtual Screening

Journal of Chemical Information and Modeling
DOI: 10.1021/acs.jcim.0c00155




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[ASAP] Context Aware Data-Driven Retrosynthetic Analysis

Journal of Chemical Information and Modeling
DOI: 10.1021/acs.jcim.9b01141




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[ASAP] Prototype Selection Method Based on the Rivality and Reliability Indexes for the Improvement of the Classification Models and External Predictions

Journal of Chemical Information and Modeling
DOI: 10.1021/acs.jcim.0c00176




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[ASAP] Nanomaterial Synthesis Insights from Machine Learning of Scientific Articles by Extracting, Structuring, and Visualizing Knowledge

Journal of Chemical Information and Modeling
DOI: 10.1021/acs.jcim.0c00199




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[ASAP] Multisolvent Models for Solvation Free Energy Predictions Using 3D-RISM Hydration Thermodynamic Descriptors

Journal of Chemical Information and Modeling
DOI: 10.1021/acs.jcim.0c00065




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[ASAP] Augmenting Hit Identification by Virtual Screening Techniques in Small Molecule Drug Discovery

Journal of Chemical Information and Modeling
DOI: 10.1021/acs.jcim.0c00113




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[ASAP] Fast Identification of Possible Drug Treatment of Coronavirus Disease-19 (COVID-19) through Computational Drug Repurposing Study

Journal of Chemical Information and Modeling
DOI: 10.1021/acs.jcim.0c00179




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[ASAP] Deep Dive into Machine Learning Models for Protein Engineering

Journal of Chemical Information and Modeling
DOI: 10.1021/acs.jcim.0c00073




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[ASAP] Unraveling the Electric Field-Induced Second Harmonic Generation Responses of Stilbazolium Ion Pairs Complexes in Solution Using a Multiscale Simulation Method

Journal of Chemical Information and Modeling
DOI: 10.1021/acs.jcim.9b01161




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[ASAP] BIreactive: A Machine-Learning Model to Estimate Covalent Warhead Reactivity

Journal of Chemical Information and Modeling
DOI: 10.1021/acs.jcim.9b01058




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[ASAP] Ranking of Ligand Binding Kinetics Using a Weighted Ensemble Approach and Comparison with a Multiscale Milestoning Approach

Journal of Chemical Information and Modeling
DOI: 10.1021/acs.jcim.9b00968




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PHOTOS: Serena looks ravishing

The tennis legend has dropped a series of photographs on her Instagram page that brings 'message of hope and optimism'.




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'Hiatus beneficial to big players'

Becker backed the idea of merging the ATP and the WTA and said the ongoing pause is an opportunity for the sport's stakeholders to work together.




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French Open to start on September 27?

Organisers in talks with governing bodies amid rescheduling reports.




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Tennis to give $6m for player relief

Eligibility for the program will take into account a player's ranking as well as previous prize money earnings according to criteria agreed by all stakeholders.




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French Open ticket holders to get refund

The French Tennis Federation says it will refund tickets purchased for the French Open because of uncertainty related to the coronavirus pandemic.




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Who is the greatest tennis player?

Eight-time Grand Slam winner Ivan Lendl said whoever ends up winning the most majors among the 'Big Three' of Roger Federer, Rafa Nadal and Novak Djokovic should be considered the greatest male tennis player of the Open era. Federer, who will be 39 in August, leads the race with 20 Grand Slam singles titles, with Spaniard Nadal close on his heels with 19. Reigning world No. 1 Djokovic is three behind the Swiss with 17 majors under his belt and is the youngest of the trio - at 32 he is a year younger than Nadal.




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Hidden Criticism?: the Methodology and Plausibility of the Search for a Counter-Imperial Subtext in Paul.

Online Resource




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Bishops in flight: exile and displacement in late antiquity / Jennifer Barry

Online Resource




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French Muslims in Perspective: Nationalism, Post-Colonialism and Marginalisation under the Republic / Joseph Downing

Online Resource




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Beyond the self: conversations between Buddhism and neuroscience / Matthieu Ricard and Wolf Singer

Hayden Library - BQ4570.N48 R5313 2017




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The chosen wars: how Judaism became an American religion / Steven R. Weisman

Hayden Library - BM205.W45 2018




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The Islamic enlightenment: the struggle between faith and reason: 1798 to modern times / Christopher de Bellaigue

Hayden Library - BP166.14.M63 D42 2018




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In the shadows of glories past: jihad for modern science in Muslim societies, 1850 to the Arab Spring / John W. Livingston

Hayden Library - BP166.14.M63 L58 2017




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Biblical terror: why law and restoration in the Bible depend upon fear / Jeremiah W. Cataldo

Online Resource




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Compulsion in religion: Saddam Hussein, Islam, and the roots of insurgencies in Iraq / Samuel Helfont

Dewey Library - BP173.6.H45 2018




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What now?: meditation for your twenties and beyond / by Yael Shy ; foreword by Lodro Rinzler

Hayden Library - BQ5612.S5365 2017




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Religion and international security / Lee Marsden

Dewey Library - BL65.S375 M37 2019




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Dancing the labyrinth: spirituality in the lives of women / Maddy Cunningham and Jade de Saussure

Hayden Library - BL625.7.C847 2019




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Spirit on the move: Black women and Pentecostalism in Africa and the diaspora / edited by Judith Casselberry and Elizabeth A. Pritchard

Hayden Library - BR1644.3.S65 2019




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Gender and the path to awakening: hidden histories of nuns in modern Thai Buddhism / Martin Seeger

Hayden Library - BQ6150.S44 2018




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Good intentions: a history of Catholic voters' road from Roe to Trump / Steven P. Millies

Dewey Library - BX1407.P63 M55 2018