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List of works by Kenneth M. Merz Jr.

Confronting Racism in Chemistry Journals

scientific article published on 19 June 2020

Converging Interests: Chemoinformatics, History, and Bibliometrics

scientific article published on 15 October 2020

Editorial: Method and Data Sharing and Reproducibility of Scientific Results

scientific article published on 01 December 2020

Extended Zinc AMBER Force Field (EZAFF).

scientific article published on 17 November 2017

FFENCODER-PL: Pair Wise Energy Descriptors for Protein-Ligand Pose Selection

scientific article published on 23 September 2021

Free-Energy-Based Protein Design: Re-Engineering Cellular Retinoic Acid Binding Protein II Assisted by the Moveable-Type Approach

scientific article published on 28 February 2018

Generation of Pairwise Potentials Using Multidimensional Data Mining

scientific article published on 25 September 2018

Generative Models for Molecular Design

scientific article published on 01 December 2020

Harnessing the Power of Multi-GPU Acceleration into the Quantum Interaction Computational Kernel Program

scientific article published on 01 June 2021

Impact of the Journal of Chemical Information and Modeling Special Issue on Women in Computational Chemistry

scientific article published on 05 July 2020

In Silico Collision Cross Section Calculations to Aid Metabolite Annotation

scientific article published in 2022

Investing in the Future

scientific article published on 01 June 2018

Mechanism of Formation of the Nonstandard Product in the Prenyltransferase Reaction of the G115T Mutant of FtmPT1: A Case of Reaction Dynamics Calling the Shots?

scientific article published in June 2017

Mechanism of Zinc Transport through the Zinc Transporter YiiP

scientific article published on 28 February 2022

Metal Ion Modeling Using Classical Mechanics

scientific article

Open-Source Multi-GPU-Accelerated QM/MM Simulations with AMBER and QUICK

scientific article published in 2021

Parametrization of Trivalent and Tetravalent Metal Ions for the OPC3, OPC, TIP3P-FB, and TIP4P-FB Water Models

scientific article published on 01 April 2021

Quantum Chemistry Calculations for Metabolomics

scientific article published in 2021

Random Forest Refinement of Pairwise Potentials for Protein-Ligand Decoy Detection

scientific article published on 02 July 2019

Random Forest Refinement of the KECSA2 Knowledge-Based Scoring Function for Protein Decoy Detection

scientific article published on 20 February 2019

ReaxFF/AMBER-A Framework for Hybrid Reactive/Nonreactive Force Field Molecular Dynamics Simulations

scientific article published on 03 November 2020

Refinement of pairwise potentials via logistic regression to score protein-protein interactions

scientific article published on 19 June 2020

Simulating the Chelate Effect

scientific article published on 06 November 2018

Systematic Evaluation of Ion Diffusion and Water Exchange

scientific article published on 14 April 2022

The Ecstasy and Agony of Assay Interference Compounds

scientific article

The Ecstasy and Agony of Assay Interference Compounds

scientific article published on 28 February 2017

The Ecstasy and Agony of Assay Interference Compounds

The Ecstasy and Agony of Assay Interference Compounds

scientific article published in 2017

The Ecstasy and Agony of Assay Interference Compounds

The Ecstasy and Agony of Assay Interference Compounds.

scientific article published on 28 February 2017

The Role of the Active Site Flap in Streptavidin/Biotin Complex Formation

scientific article published on 2 April 2018

Thermodynamics of Transition Metal Ion Binding to Proteins

scientific article published on 18 March 2020

Trapping intermediates in metal transfer reactions of the CusCBAF export pump of

scientific article published on 14 November 2018

Update to Our Reader, Reviewer, and Author Communities-April 2020

scientific article published on 22 April 2020

Update to Our Reader, Reviewer, and Author Communities-April 2020

scientific article published on 23 April 2020

Using AMBER18 for Relative Free Energy Calculations

scientific article published on 20 June 2019

Using Ligand-Induced Protein Chemical Shift Perturbations To Determine Protein-Ligand Structures

scientific article published on 13 April 2017

What Makes a Paper Be Highly Cited? 60 Years of the <i>Journal of Chemical Information and Modeling</i>

scientific article published on 01 December 2020

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