Lista de obras - Kenneth Merz - Dominio Público Uruguay

Confronting Racism in Chemistry Journals

scientific article published on 19 June 2020

Converging Interests: Chemoinformatics, History, and Bibliometrics

artículo científico publicado en 2020

Editorial: Method and Data Sharing and Reproducibility of Scientific Results

artículo científico publicado en 2020

Extended Zinc AMBER Force Field (EZAFF).

artículo científico publicado en 2017

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

artículo científico publicado en 2021

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

artículo científico publicado en 2018

Generation of Pairwise Potentials Using Multidimensional Data Mining

artículo científico publicado en 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

artículo científico publicado en 2021

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

artículo científico publicado en 2020

In Silico Collision Cross Section Calculations to Aid Metabolite Annotation

artículo científico publicado en 2022

Investing in the Future

artículo científico publicado en 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?

artículo científico publicado en 2017

Mechanism of Zinc Transport through the Zinc Transporter YiiP

artículo científico publicado en 2022

Metal Ion Modeling Using Classical Mechanics

artículo científico publicado en 2017

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

artículo científico publicado en 2021

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

artículo científico publicado en 2021

Quantum Chemistry Calculations for Metabolomics

artículo científico publicado en 2021

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

artículo científico publicado en 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

artículo científico publicado en 2020

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

artículo científico publicado en 2020

Simulating the Chelate Effect

artículo científico publicado en 2018

Systematic Evaluation of Ion Diffusion and Water Exchange

artículo científico publicado en 2022

The Ecstasy and Agony of Assay Interference Compounds

artículo científico publicado en 2017

The Ecstasy and Agony of Assay Interference Compounds

artículo científico publicado en 2017

The Ecstasy and Agony of Assay Interference Compounds

scientific article published in 2017

The Ecstasy and Agony of Assay Interference Compounds

artículo científico publicado en 2017

The Ecstasy and Agony of Assay Interference Compounds.

artículo científico publicado en 2017

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

artículo científico publicado en 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

artículo científico publicado en 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

artículo científico publicado en 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

artículo científico publicado en 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

Lista de obras de Kenneth Merz

Confronting Racism in Chemistry Journals

Converging Interests: Chemoinformatics, History, and Bibliometrics

Editorial: Method and Data Sharing and Reproducibility of Scientific Results

Extended Zinc AMBER Force Field (EZAFF).

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

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

Generation of Pairwise Potentials Using Multidimensional Data Mining

Generative Models for Molecular Design

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

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

In Silico Collision Cross Section Calculations to Aid Metabolite Annotation

Investing in the Future

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?

Mechanism of Zinc Transport through the Zinc Transporter YiiP

Metal Ion Modeling Using Classical Mechanics

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

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

Quantum Chemistry Calculations for Metabolomics

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

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

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

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

Simulating the Chelate Effect

Systematic Evaluation of Ion Diffusion and Water Exchange

The Ecstasy and Agony of Assay Interference Compounds

The Ecstasy and Agony of Assay Interference Compounds

The Ecstasy and Agony of Assay Interference Compounds

The Ecstasy and Agony of Assay Interference Compounds

The Ecstasy and Agony of Assay Interference Compounds

The Ecstasy and Agony of Assay Interference Compounds.

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

Thermodynamics of Transition Metal Ion Binding to Proteins

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

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

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

Using AMBER18 for Relative Free Energy Calculations

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

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