Search

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

343

Downloads

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

646

Downloads

1

Citations

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

559

Downloads

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

500

Downloads

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

406

Downloads

Analytical Chemistry

Working Paper

Improved hydrophobic subtraction model of reversed-phase liquid chromatography selectivity based on a large dataset with a focus on isomer selectivity

Sarah Rutan, Trevor Kempen, Tina Dahlseid, Zachary Kruger, Bob Pirok, Jonathan Shackman, Yiyang Zhou, Qinggang Wang, Dwight Stoll

Version 1 posted 02 April 2024

54

Downloads

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

127

Downloads

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

1,567

Downloads

8

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

153

Downloads

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

969

Downloads

Refine Search

13 results in Principal Component Analysis in Keywords: Principal Component Analysis

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

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

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

Efficient PCA-Exploration of High-Dimensional Datasets

Multivariate Analysis of Disorder in Metal–Organic Frameworks

Improved hydrophobic subtraction model of reversed-phase liquid chromatography selectivity based on a large dataset with a focus on isomer selectivity

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

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

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

13 results in Keywords: Principal Component Analysis