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Express newslist: Secret letter on Netaji, Bombay HC verdict on sedition and other updates




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One killed in Dadri as ‘rumours’ spread about beef consumption




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7/11 Mumbai train blasts: 6 of the 12 convicts profiled




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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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Here are the 33 writers who returned their Sahitya Akademi awards




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7th Pay Commission recommendations: All you need to know




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




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See India’s first solar-powered DEMU trains




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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] Need for Cross-Validation of Single Particle Cryo-EM

Journal of Chemical Information and Modeling
DOI: 10.1021/acs.jcim.9b01121




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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




ed

[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




ed

[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




ed

[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




ed

[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




ed

[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




ed

[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] 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] 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] 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] Evaluating Scalable Uncertainty Estimation Methods for Deep Learning-Based Molecular Property Prediction

Journal of Chemical Information and Modeling
DOI: 10.1021/acs.jcim.9b00975




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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] Aligning the Symmetry of the Type III Secretion System Needle Complex

Journal of Chemical Information and Modeling
DOI: 10.1021/acs.jcim.0c00088




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[ASAP] Accelerated Protein Folding Using Greedy-Proximal A*

Journal of Chemical Information and Modeling
DOI: 10.1021/acs.jcim.9b01194




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

Hayden Library - BR516.G75 2017




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

Hayden Library - BQ5612.S5365 2017




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Figuring racism in medieval Christianity / M. Lindsay Kaplan

Hayden Library - BT734.2.K354 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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Race, religion, and politics: toward human rights in the United States / Stephanie Y. Mitchem, University of South Carolina

Dewey Library - BL2525.M575 2019




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Migration for mission: international Catholic Sisters in the United States / Mary Johnson, Mary L. Gautier, Patricia Wittberg, and Thu T. Do

Hayden Library - BX4220.U6 J638 2019




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Islamists and the politics of the Arab uprisings: governance, pluralisation and contention / edited by Hendrik Kraetzschmar and Paola Rivetti

Dewey Library - BP173.7.I7745 2018




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Recent developments in midrash research: proceedings of the 2002 and 2003 SBL Consultation on Midrash / Lieve M. Teugels and Rivka Ulmer, editors

Online Resource




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The Avignon papacy contested: an intellectual history from Dante to Catherine of Siena / Unn Falkeid

Online Resource




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The Tawhidi methodological worldview: a transdisciplinary study of Islamic economics / editor: Masudul Alam Choudhury

Online Resource




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The world of bees / Rudolf Steiner ; compiled, with commentaries, by Martin Dettli ; translated by Matthew Barton

Hayden Library - BP595.S894 U2313 2017