sap [ASAP] Mechanism-Based Rational Discovery and <italic toggle="yes">In Vitro</italic> Evaluation of Novel Microtubule Stabilizing Agents with Non-Taxol-Competitive Activity By feedproxy.google.com Published On :: Tue, 21 Apr 2020 04:00:00 GMT Journal of Chemical Information and ModelingDOI: 10.1021/acs.jcim.9b01133 Full Article
sap [ASAP] Brick-CFCMC: Open Source Software for Monte Carlo Simulations of Phase and Reaction Equilibria Using the Continuous Fractional Component Method By feedproxy.google.com Published On :: Tue, 21 Apr 2020 04:00:00 GMT Journal of Chemical Information and ModelingDOI: 10.1021/acs.jcim.0c00334 Full Article
sap [ASAP] Discovery of Ubiquitin-Specific Protease 7 (USP7) Inhibitors with Novel Scaffold Structures by Virtual Screening, Molecular Dynamics Simulation, and Biological Evaluation By feedproxy.google.com Published On :: Thu, 23 Apr 2020 04:00:00 GMT Journal of Chemical Information and ModelingDOI: 10.1021/acs.jcim.0c00154 Full Article
sap [ASAP] LIT-PCBA: An Unbiased Data Set for Machine Learning and Virtual Screening By feedproxy.google.com Published On :: Thu, 23 Apr 2020 04:00:00 GMT Journal of Chemical Information and ModelingDOI: 10.1021/acs.jcim.0c00155 Full Article
sap [ASAP] Ranking Molecules with Vanishing Kernels and a Single Parameter: Active Applicability Domain <italic toggle="yes">Included</italic> By feedproxy.google.com Published On :: Thu, 23 Apr 2020 04:00:00 GMT Journal of Chemical Information and ModelingDOI: 10.1021/acs.jcim.9b01075 Full Article
sap [ASAP] Update to Our Reader, Reviewer, and Author Communities—April 2020 By feedproxy.google.com Published On :: Thu, 23 Apr 2020 04:00:00 GMT Journal of Chemical Information and ModelingDOI: 10.1021/acs.jcim.0c00399 Full Article
sap [ASAP] Evaluating Scalable Uncertainty Estimation Methods for Deep Learning-Based Molecular Property Prediction By feedproxy.google.com Published On :: Fri, 24 Apr 2020 04:00:00 GMT Journal of Chemical Information and ModelingDOI: 10.1021/acs.jcim.9b00975 Full Article
sap [ASAP] Context Aware Data-Driven Retrosynthetic Analysis By feedproxy.google.com Published On :: Fri, 24 Apr 2020 04:00:00 GMT Journal of Chemical Information and ModelingDOI: 10.1021/acs.jcim.9b01141 Full Article
sap [ASAP] Prototype Selection Method Based on the Rivality and Reliability Indexes for the Improvement of the Classification Models and External Predictions By feedproxy.google.com Published On :: Sun, 26 Apr 2020 04:00:00 GMT Journal of Chemical Information and ModelingDOI: 10.1021/acs.jcim.0c00176 Full Article
sap [ASAP] Nanomaterial Synthesis Insights from Machine Learning of Scientific Articles by Extracting, Structuring, and Visualizing Knowledge By feedproxy.google.com Published On :: Wed, 29 Apr 2020 04:00:00 GMT Journal of Chemical Information and ModelingDOI: 10.1021/acs.jcim.0c00199 Full Article
sap [ASAP] Multisolvent Models for Solvation Free Energy Predictions Using 3D-RISM Hydration Thermodynamic Descriptors By feedproxy.google.com Published On :: Thu, 30 Apr 2020 04:00:00 GMT Journal of Chemical Information and ModelingDOI: 10.1021/acs.jcim.0c00065 Full Article
sap [ASAP] Augmenting Hit Identification by Virtual Screening Techniques in Small Molecule Drug Discovery By feedproxy.google.com Published On :: Fri, 01 May 2020 04:00:00 GMT Journal of Chemical Information and ModelingDOI: 10.1021/acs.jcim.0c00113 Full Article
sap [ASAP] A Community Letter Regarding Sharing Biomolecular Simulation Data for COVID-19 By feedproxy.google.com Published On :: Fri, 01 May 2020 04:00:00 GMT Journal of Chemical Information and ModelingDOI: 10.1021/acs.jcim.0c00319 Full Article
sap [ASAP] Aligning the Symmetry of the Type III Secretion System Needle Complex By feedproxy.google.com Published On :: Mon, 04 May 2020 04:00:00 GMT Journal of Chemical Information and ModelingDOI: 10.1021/acs.jcim.0c00088 Full Article
sap [ASAP] Fast Identification of Possible Drug Treatment of Coronavirus Disease-19 (COVID-19) through Computational Drug Repurposing Study By feedproxy.google.com Published On :: Mon, 04 May 2020 04:00:00 GMT Journal of Chemical Information and ModelingDOI: 10.1021/acs.jcim.0c00179 Full Article
sap [ASAP] Understanding the Contributions of Microscopic Heat Transfer to Thermal Conductivities of Liquid Aldehydes and Ketones by Molecular Dynamics Simulation By feedproxy.google.com Published On :: Mon, 04 May 2020 04:00:00 GMT Journal of Chemical Information and ModelingDOI: 10.1021/acs.jcim.0c00184 Full Article
sap [ASAP] Deep Dive into Machine Learning Models for Protein Engineering By feedproxy.google.com Published On :: Tue, 05 May 2020 04:00:00 GMT Journal of Chemical Information and ModelingDOI: 10.1021/acs.jcim.0c00073 Full Article
sap [ASAP] Accelerated Protein Folding Using Greedy-Proximal A* By feedproxy.google.com Published On :: Tue, 05 May 2020 04:00:00 GMT Journal of Chemical Information and ModelingDOI: 10.1021/acs.jcim.9b01194 Full Article
sap [ASAP] Scope of 3D Shape-Based Approaches in Predicting the Macromolecular Targets of Structurally Complex Small Molecules Including Natural Products and Macrocyclic Ligands By feedproxy.google.com Published On :: Tue, 05 May 2020 04:00:00 GMT Journal of Chemical Information and ModelingDOI: 10.1021/acs.jcim.0c00161 Full Article
sap [ASAP] Unraveling the Electric Field-Induced Second Harmonic Generation Responses of Stilbazolium Ion Pairs Complexes in Solution Using a Multiscale Simulation Method By feedproxy.google.com Published On :: Tue, 05 May 2020 04:00:00 GMT Journal of Chemical Information and ModelingDOI: 10.1021/acs.jcim.9b01161 Full Article
sap [ASAP] Matched Molecular Series Analysis for ADME Property Prediction By feedproxy.google.com Published On :: Tue, 05 May 2020 04:00:00 GMT Journal of Chemical Information and ModelingDOI: 10.1021/acs.jcim.0c00269 Full Article
sap [ASAP] BIreactive: A Machine-Learning Model to Estimate Covalent Warhead Reactivity By feedproxy.google.com Published On :: Wed, 06 May 2020 04:00:00 GMT Journal of Chemical Information and ModelingDOI: 10.1021/acs.jcim.9b01058 Full Article
sap [ASAP] Ranking of Ligand Binding Kinetics Using a Weighted Ensemble Approach and Comparison with a Multiscale Milestoning Approach By feedproxy.google.com Published On :: Thu, 07 May 2020 04:00:00 GMT Journal of Chemical Information and ModelingDOI: 10.1021/acs.jcim.9b00968 Full Article
sap [ASAP] Computational Insights into Molecular Activation and Positive Cooperative Mechanisms of FFAR1 Modulators By feedproxy.google.com Published On :: Fri, 08 May 2020 04:00:00 GMT Journal of Chemical Information and ModelingDOI: 10.1021/acs.jcim.0c00030 Full Article
sap Behave: the biology of humans at our best and worst / Robert M. Sapolsky By library.mit.edu Published On :: Sun, 13 Aug 2017 06:37:12 EDT Hayden Library - QP351.S27 2017 Full Article
sap Advances in neuroergonomics and cognitive engineering: proceedings of the AHFE 2018 International Conference on Neuroergonomics and Cognitive Engineering, July 21--25, 2018, Loews Sapphire Falls Resort at Universal Studios, Orlando, Florida USA / Hasan Ay By library.mit.edu Published On :: Sun, 12 Jan 2020 08:09:51 EST Online Resource Full Article
sap [ASAP] In Vitro Identification of the Hamiltonian Cycle Using a Circular Structure Assisted DNA Computer By feedproxy.google.com Published On :: Mon, 06 Apr 2020 04:00:00 GMT ACS Combinatorial ScienceDOI: 10.1021/acscombsci.9b00150 Full Article
sap [ASAP] Development of Mischmetal–Fe–Co–B Permanent Magnet Alloys via High-Throughput Methods By feedproxy.google.com Published On :: Mon, 06 Apr 2020 04:00:00 GMT ACS Combinatorial ScienceDOI: 10.1021/acscombsci.9b00190 Full Article
sap [ASAP] Ce(OTf)<sub>3</sub>-Catalyzed Multicomponent Reaction of Alkynyl Carboxylic Acids, <italic toggle="yes">tert</italic>-Butyl Isocyanide, and Azides for the Assembly of Triazole–Oxazole Derivatives By feedproxy.google.com Published On :: Mon, 20 Apr 2020 04:00:00 GMT ACS Combinatorial ScienceDOI: 10.1021/acscombsci.0c00012 Full Article
sap [ASAP] Immobilized Carbodiimide Assisted Flow Combinatorial Protocol to Facilitate Amide Coupling and Lactamization By feedproxy.google.com Published On :: Wed, 22 Apr 2020 04:00:00 GMT ACS Combinatorial ScienceDOI: 10.1021/acscombsci.0c00001 Full Article
sap [ASAP] Update to Our Reader, Reviewer, and Author Communities—April 2020 By feedproxy.google.com Published On :: Wed, 22 Apr 2020 04:00:00 GMT ACS Combinatorial ScienceDOI: 10.1021/acscombsci.0c00061 Full Article
sap [ASAP] Optimized Multimetal Sensitized Phosphor for Enhanced Red Up-Conversion Luminescence by Machine Learning By feedproxy.google.com Published On :: Sun, 26 Apr 2020 04:00:00 GMT ACS Combinatorial ScienceDOI: 10.1021/acscombsci.0c00035 Full Article
sap [ASAP] Magnetic Bead-Immobilized Mammalian Cells Are Effective Targets to Enrich Ligand-Displaying Yeast By feedproxy.google.com Published On :: Mon, 27 Apr 2020 04:00:00 GMT ACS Combinatorial ScienceDOI: 10.1021/acscombsci.0c00036 Full Article
sap [ASAP] Experimental and Theoretical Investigation on Phase Formation and Mechanical Properties in Cr–Co–Ni Alloys Processed Using a Novel Thin-Film Quenching Technique By feedproxy.google.com Published On :: Tue, 28 Apr 2020 04:00:00 GMT ACS Combinatorial ScienceDOI: 10.1021/acscombsci.9b00170 Full Article
sap [ASAP] Carbene-Catalyzed a,?-Deuteration of Enals under Oxidative Conditions By feedproxy.google.com Published On :: Fri, 24 Apr 2020 04:00:00 GMT ACS CatalysisDOI: 10.1021/acscatal.0c00636 Full Article
sap [ASAP] Expanding Ligand Space: Preparation, Characterization, and Synthetic Applications of Air-Stable, Odorless Di-<italic toggle="yes">tert</italic>-alkylphosphine Surrogates By feedproxy.google.com Published On :: Fri, 24 Apr 2020 04:00:00 GMT ACS CatalysisDOI: 10.1021/acscatal.0c01414 Full Article
sap [ASAP] Fe Single-Atom Catalyst for Visible-Light-Driven Photofixation of Nitrogen Sensitized by Triphenylphosphine and Sodium Iodide By feedproxy.google.com Published On :: Sun, 26 Apr 2020 04:00:00 GMT ACS CatalysisDOI: 10.1021/acscatal.0c00920 Full Article
sap [ASAP] Positive Effects of H<sub>2</sub>O on the Hydrogen Oxidation Reaction on Sr<sub>2</sub>Fe<sub>1.5</sub>Mo<sub>0.5</sub>O<sub>6-d</sub>-Based Perovskite Anodes for Solid Oxide Fuel Cells By feedproxy.google.com Published On :: Mon, 27 Apr 2020 04:00:00 GMT ACS CatalysisDOI: 10.1021/acscatal.9b05458 Full Article
sap [ASAP] Electrostatically Driven Multielectron Transfer for the Photocatalytic Regeneration of Nicotinamide Cofactor By feedproxy.google.com Published On :: Mon, 27 Apr 2020 04:00:00 GMT ACS CatalysisDOI: 10.1021/acscatal.0c01478 Full Article
sap [ASAP] Lattice Strain Measurement of Core@Shell Electrocatalysts with 4D Scanning Transmission Electron Microscopy Nanobeam Electron Diffraction By feedproxy.google.com Published On :: Mon, 27 Apr 2020 04:00:00 GMT ACS CatalysisDOI: 10.1021/acscatal.0c00224 Full Article
sap [ASAP] Tuning the Metal–Support Interaction and Enhancing the Stability of Titania-Supported Cobalt Fischer–Tropsch Catalysts via Carbon Nitride Coating By feedproxy.google.com Published On :: Mon, 27 Apr 2020 04:00:00 GMT ACS CatalysisDOI: 10.1021/acscatal.0c01121 Full Article
sap [ASAP] Rh/TiO<sub>2</sub>-Photocatalyzed Acceptorless Dehydrogenation of N-Heterocycles upon Visible-Light Illumination By feedproxy.google.com Published On :: Mon, 27 Apr 2020 04:00:00 GMT ACS CatalysisDOI: 10.1021/acscatal.0c00556 Full Article
sap [ASAP] Selective Room-Temperature Hydrogenation of Amides to Amines and Alcohols Catalyzed by a Ruthenium Pincer Complex and Mechanistic Insight By feedproxy.google.com Published On :: Mon, 27 Apr 2020 04:00:00 GMT ACS CatalysisDOI: 10.1021/acscatal.0c01406 Full Article
sap [ASAP] 4-Nitrophenol Reduction: Probing the Putative Mechanism of the Model Reaction By feedproxy.google.com Published On :: Mon, 27 Apr 2020 04:00:00 GMT ACS CatalysisDOI: 10.1021/acscatal.0c00725 Full Article
sap [ASAP] Correction to “Promoter Rather Than Inhibitor: Phosphorous Incorporation Accelerates the Activity of V<sub>2</sub>O<sub>5</sub>–WO<sub>3</sub>/TiO<sub>2</sub> Catalyst for Selective Catalytic Reductio By feedproxy.google.com Published On :: Tue, 28 Apr 2020 04:00:00 GMT ACS CatalysisDOI: 10.1021/acscatal.0c01661 Full Article
sap [ASAP] The Energetics of Hydrogen Molecule Oxidation in NiFe-hydrogenase By feedproxy.google.com Published On :: Tue, 28 Apr 2020 04:00:00 GMT ACS CatalysisDOI: 10.1021/acscatal.0c00396 Full Article
sap [ASAP] Removal of Hydrogen Poisoning by Electrostatically Polar MgO Support for Low-Pressure NH<sub>3</sub> Synthesis at a High Rate over the Ru Catalyst By feedproxy.google.com Published On :: Tue, 28 Apr 2020 04:00:00 GMT ACS CatalysisDOI: 10.1021/acscatal.0c00954 Full Article
sap [ASAP] Toward the Atomic Scale Simulation of Intricate Acidic Aluminosilicate Catalysts By feedproxy.google.com Published On :: Tue, 28 Apr 2020 04:00:00 GMT ACS CatalysisDOI: 10.1021/acscatal.0c01136 Full Article
sap [ASAP] Transient Directing Group Enabled Pd-Catalyzed ?-C(sp<sup>3</sup>)–H Oxygenation of Alkyl Amines By feedproxy.google.com Published On :: Wed, 29 Apr 2020 04:00:00 GMT ACS CatalysisDOI: 10.1021/acscatal.0c01310 Full Article
sap [ASAP] A Mechanistic Rationale Approach Revealed the Unexpected Chemoselectivity of an Artificial Ru-Dependent Oxidase: A Dual Experimental/Theoretical Approach By feedproxy.google.com Published On :: Wed, 29 Apr 2020 04:00:00 GMT ACS CatalysisDOI: 10.1021/acscatal.9b04904 Full Article
