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Express Newslist: MHA’s ‘zero tolerance’ on Dadri Lynching, jawans killed in Kupwara encounter, Khurshid Mahmud Kasuri’s new book,




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Bihar pre-poll survey: Advantage BJP as state gets ready for elections




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Rising intolerance? Indian Express columnists debate




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




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What is Panama Papers? Here is everything you need to know




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Today’s top news: Pinarayi to swear-in as Kerala CM, UP Governor on Bajrang Dal camp and more




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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] 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] Combining Docking Pose Rank and Structure with Deep Learning Improves Protein–Ligand Binding Mode Prediction over a Baseline Docking Approach

Journal of Chemical Information and Modeling
DOI: 10.1021/acs.jcim.9b00927




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[ASAP] Retrospect and Prospect of Single Particle Cryo-Electron Microscopy: The Class of Integral Membrane Proteins as an Example

Journal of Chemical Information and Modeling
DOI: 10.1021/acs.jcim.9b01015




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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] 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] Propagation of Conformational Coordinates Across Angular Space in Mapping the Continuum of States from Cryo-EM Data by Manifold Embedding

Journal of Chemical Information and Modeling
DOI: 10.1021/acs.jcim.9b01115




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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] Live Analysis and Reconstruction of Single-Particle Cryo-Electron Microscopy Data with CryoFLARE

Journal of Chemical Information and Modeling
DOI: 10.1021/acs.jcim.9b01102




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[ASAP] Exploring Conformational Space with Thermal Fluctuations Obtained by Normal-Mode Analysis

Journal of Chemical Information and Modeling
DOI: 10.1021/acs.jcim.9b01136




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[ASAP] Molecular Perception for Visualization and Computation: The Proxima Library

Journal of Chemical Information and Modeling
DOI: 10.1021/acs.jcim.0c00076




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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] Ranking Molecules with Vanishing Kernels and a Single Parameter: Active Applicability Domain <italic toggle="yes">Included</italic>

Journal of Chemical Information and Modeling
DOI: 10.1021/acs.jcim.9b01075




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[ASAP] Update to Our Reader, Reviewer, and Author Communities—April 2020

Journal of Chemical Information and Modeling
DOI: 10.1021/acs.jcim.0c00399




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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] Understanding the Contributions of Microscopic Heat Transfer to Thermal Conductivities of Liquid Aldehydes and Ketones by Molecular Dynamics Simulation

Journal of Chemical Information and Modeling
DOI: 10.1021/acs.jcim.0c00184




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[ASAP] Scope of 3D Shape-Based Approaches in Predicting the Macromolecular Targets of Structurally Complex Small Molecules Including Natural Products and Macrocyclic Ligands

Journal of Chemical Information and Modeling
DOI: 10.1021/acs.jcim.0c00161




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[ASAP] Matched Molecular Series Analysis for ADME Property Prediction

Journal of Chemical Information and Modeling
DOI: 10.1021/acs.jcim.0c00269




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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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[ASAP] Computational Insights into Molecular Activation and Positive Cooperative Mechanisms of FFAR1 Modulators

Journal of Chemical Information and Modeling
DOI: 10.1021/acs.jcim.0c00030




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Sania on being a female athlete in India

Path-breaking tennis ace Sania Mirza takes pride in the fact that many of India's sporting stars, outside cricket, are women even though she believes that it will take a few more generations before being a sportswoman is seen as a natural career choice in the country. The winner of six Grand Slam titles, spoke on a range of issues including the role of parents and attitude of coaches towards women players during a webinar organised by the All India Tennis Association and the Sports Authority of India (SAI).




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Spanish club apologises to Djokovic

Spanish tennis federation released a statement to clarify that tennis players were not allowed to return to courts until May 11, and were only permitted to conduct individual training outside.




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'None more unbeatable than Djokovic'

There is no one more unbeatable in men's tennis than Novak Djokovic when the Serb is at his best, former world number four American Todd Martin said. Reigning world number one Djokovic has already established himself as one of the best ever to play the game and the Serb's Grand Slam haul of 17 is just three behind the 20 that Roger Federer has amassed. The Swiss player will be 39 in August.




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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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Pope Francis as a global actor: where politics and theology meet / Alynna J. Lyon, Christine A. Gustafson, Paul Christopher Manuel, editors

Online Resource




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Jinnealogy: time, Islam, and ecological thought in the medieval ruins of Delhi / Anand Vivek Taneja

Rotch Library - BP63.I42 T363 2018




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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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Moral combat: how sex divided American Christians and fractured American politics / R. Marie Griffith

Hayden Library - BR516.G75 2017




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Pastoral aesthetics: a theological perspective on principlist bioethics / Nathan Carlin

Online Resource




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Relación de la causa de Juana María, mulata: esclava, mulata y hechicera: historia inquisitorial de una mujer novohispana del siglo XVIII / edición, Alma Leticia Mejía González

Online Resource




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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