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Analytical Chemistry

Working Paper

Efficient PCA-Exploration of High-Dimensional Datasets

Oxana Ye. Rodionova, Sergey Kucheryavskiy, Alexey L. Pomerantsev

Version 1 posted 10 December 2020

536

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Biological and Medicinal Chemistry

Working Paper

The Structural Landscape of SARS-CoV-2 Main Protease: Hints for Inhibitor Search.

Luigi Leonardo Palese

Version 1 posted 30 April 2020

1,617

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5

Citations

Biological and Medicinal Chemistry

Working Paper

Steered Molecular Dynamics Study of the Age-related Stiffening of the Crystalline Lens

Ewa Golas, Leslie Glasser, Harold A. Scheraga

Version 1 posted 17 January 2022

172

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Theoretical and Computational Chemistry

Working Paper

A Mode Evolution Metric to Extract Converged Reaction Coordinates for Biomolecular Conformational Transitions

Mitradip Das, Ravindra Venkatramani

Version 1 posted 27 February 2024

250

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Biological and Medicinal Chemistry

Working Paper

Biophysical and in silico characterization of NrtA: A protein-based host for aqueous nitrate and nitrite recognition

Ke Ji, Kiheon Baek, Weicheng Peng, Kevin Alberto, Hedieh Torabifard, Steven Nielsen, Sheel Dodani

Version 1 posted 19 October 2021

401

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Catalysis

Working Paper

Vapor-phase Stabilization of Biomass Pyrolysis Vapors Using Mixed-metal Oxide Catalysts

Charles W. Edmunds, Calvin Mukarakate, Mengze Xu, Yagya N. Regmi, Choo Hamilton, Joshua A. Schaidle, Nicole Labbé, Stephen Chmely

Version 2 posted 27 February 2019

1,000

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Materials Chemistry

Working Paper

Multivariate Analysis of Disorder in Metal–Organic Frameworks

Adam Sapnik, Irene Bechis, Alice Bumstead, Timothy Johnson, Philip Chater, David Keen, Kim Jelfs, Thomas Bennett

Version 1 posted 18 November 2021

424

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Theoretical and Computational Chemistry

Working Paper

Remdesivir-Bound and Ligand-Free Simulations Reveal the Probable Mechanism of Inhibiting the RNA Dependent RNA Polymerase of SARS-CoV-2

Shruti Koulgi, Vinod Jani, Mallikarjunachari Uppuladinne V N, Uddhavesh Sonavane, Rajendra Joshi

Version 1 posted 27 May 2020

684

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1

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Inorganic Chemistry

Working Paper

Synthesis, Characterizations and Chemometric Analysis Approach of Nitrile Functionalized Asymmetrical Dinuclear Silver(I) Di-N¬-Heterocyclic Carbene Complexes

Muhammad Zulhelmi Nazri, Mohd Rizal Razali, Sunusi Yahya Hussaini, Norazah Basar

Version 1 posted 23 August 2024

80

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Analytical Chemistry

Working Paper

Preliminary Investigations into the Source Attribution of Party Sparklers Using Trace Elemental Analysis and Chemometrics

Joshua D'Uva, David DeTata, Christopher D. May, Simon W. Lewis

Version 2 posted 06 July 2020

653

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Refine Search

16 results in Principal Component Analysis in Keywords: Principal Component Analysis

Efficient PCA-Exploration of High-Dimensional Datasets

The Structural Landscape of SARS-CoV-2 Main Protease: Hints for Inhibitor Search.

Steered Molecular Dynamics Study of the Age-related Stiffening of the Crystalline Lens

A Mode Evolution Metric to Extract Converged Reaction Coordinates for Biomolecular Conformational Transitions

Biophysical and in silico characterization of NrtA: A protein-based host for aqueous nitrate and nitrite recognition

Vapor-phase Stabilization of Biomass Pyrolysis Vapors Using Mixed-metal Oxide Catalysts

Multivariate Analysis of Disorder in Metal–Organic Frameworks

Remdesivir-Bound and Ligand-Free Simulations Reveal the Probable Mechanism of Inhibiting the RNA Dependent RNA Polymerase of SARS-CoV-2

Synthesis, Characterizations and Chemometric Analysis Approach of Nitrile Functionalized Asymmetrical Dinuclear Silver(I) Di-N¬-Heterocyclic Carbene Complexes

Preliminary Investigations into the Source Attribution of Party Sparklers Using Trace Elemental Analysis and Chemometrics

16 results in Keywords: Principal Component Analysis