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Predictions for Arsonic Acids Using Density Functional Theory-Based and Machine Learning Approaches ACS Publications

Discovery, Optimization, and Evaluation of Potent and Selective DNA-PK Inhibitors in Combination with Chemotherapy or Radiotherapy for the Treatment of Malignancies ACS Publications

Model-Based Virtual PK/PD Exploration and Machine Learning Approach to Define PK Drivers in Early Drug Discovery ACS Publications

Accurate and Rapid Prediction of Protein pKa: Protein Language Models Reveal the Sequence–pKa Relationship ACS Publications

Pharmacokinetics, Biodistribution, Immunogenicity, and Model-Informed-Based PK/PD Model of a Next-Generation Advanced Novel Gene Therapy for Hemophilia ACS Publications

Molecular Representations in Machine-Learning-Based Prediction of PK Parameters for Insulin Analogs ACS Publications

A Practical In Silico Method for Predicting Compound Brain Concentration–Time Profiles: Combination of PK Modeling and Machine Learning | Molecular Pharmaceutics ACS Publications

Peptide Stereochemistry Effects from pKa-Shift to Gold Nanoparticle Templating in a Supramolecular Hydrogel ACS Publications

Peptide Stereochemistry Effects from pKa-Shift to Gold Nanoparticle Templating in a Supramolecular Hydrogel ACS Publications

Halogenation-Driven Discovery of Halomethylene-Biphenyl-Diarylpyrimidines as Potent HIV-1 Non-Nucleoside Reverse Transcriptase Inhibitors with Improved Safety and PK Profiles ACS Publications

BAY-8400: A Novel Potent and Selective DNA-PK Inhibitor which Shows Synergistic Efficacy in Combination with Targeted Alpha Therapies ACS Publications

Amplified Light-Induced pKa Modulation with Diarylethene Photoswitches ACS Publications

Physicochemical Property Determinants of Oral Absorption for PROTAC Protein Degraders ACS Publications

Discovery, Optimization, and Evaluation of Potent and Selective DNA-PK Inhibitors in Combination with Chemotherapy or Radiotherapy for the Treatment of Malignancies ACS Publications

Application of Machine Learning and Mechanistic Modeling to Predict Intravenous Pharmacokinetic Profiles in Humans ACS Publications

DeepCt: Predicting Pharmacokinetic Concentration–Time Curves and Compartmental Models from Chemical Structure Using Deep Learning ACS Publications

Wear-Resistant Smart Textiles Using Nylon-11 Triboelectric Yarns ACS Publications

Calculating Apparent pKa Values of Ionizable Lipids in Lipid Nanoparticles | Molecular Pharmaceutics ACS Publications

Drug–Target Kinetics in Drug Discovery ACS Publications

Calculations of pKa Values for a Series of Naturally Occurring Modified Nucleobases ACS Publications

P K-Edge XANES Calculations of Mineral Standards: Exploring the Potential of Theoretical Methods in the Analysis of Phosphorus Speciation ACS Publications

Plasmonic Resonance Enhanced Polarization-Sensitive Photodetection by Black Phosphorus in Near Infrared ACS Publications

Phosphorus Storage in Microalgae: STXM and XAS P K-Edge Investigation ACS Publications

MolGpka: A Web Server for Small Molecule pKa Prediction Using a Graph-Convolutional Neural Network ACS Publications

pKa-Directed Incorporation of Phosphonates into MOF-808 via Ligand Exchange: Stability and Adsorption Properties for Uranium | ACS Applied Materials & Interfaces ACS Publications

Determination of the Surface pK of Carboxylic- and Amine-Terminated Alkanethiols Using Surface Plasmon Resonance Spectroscopy | Langmuir ACS Publications

Hydrogen Evolution Reaction Activity of Graphene–MoS2 van der Waals Heterostructures ACS Publications

’s and Reduction Potentials for Bioinspired Hydrogenase Catalysis ACS Publications

Fmoc-Diphenylalanine Self-Assembly Mechanism Induces Apparent pKa Shifts | Langmuir ACS Publications

In Silico Absorption, Distribution, Metabolism, Excretion, and Pharmacokinetics (ADME-PK): Utility and Best Practices. An Industry Perspective from the International Consortium for Innovation through Quality in Pharmaceutical Development ACS Publications

CHARMM-GUI Input Generator for NAMD, GROMACS, AMBER, OpenMM, and CHARMM/OpenMM Simulations Using the CHARMM36 Additive Force Field ACS Publications

/DFT-Based Theoretical Model for Predicting the Drug Loading and Release of a pH-Responsive Drug Delivery System ACS Publications

Defect-Induced Photoluminescence in Monolayer Semiconducting Transition Metal Dichalcogenides | ACS Nano ACS Publications

P K Goyal the new ACS, School Education, Language and Library Department in Rajasthan Elets Technomedia