プロフィール詳細

プロジェクトを作成

★★★★★

☆☆☆☆☆

★★★★★

☆☆☆☆☆

Hunter L.に依頼

United States

ML Scientist & Computational Chemist | Expert in Python & R | Computer-Aided Drug Design Researcher

プロフィール概要

Expert ML Scientist & Computational Chemist | Accelerating Discovery with AI, Quantum Chemistry, and Molecular Modeling Are you looking to harness the power of computational chemistry and machine learning to solve complex scientific problems or accelerate your R&D? With a Ph.D. in Theoretical and Computational Chemistry and a proven track record in both academic and collaborative industry projects, I offer specialized services at the intersection of chemistry, biology, and data science. What I Can Do for You: Molecular Modeling & Drug Discovery Virtual screening, ligand docking, and hit identification Structure-based drug design and optimization Predictive modeling of physicochemical and ADMET properties Quantum Chemistry & Electronic Structure Calculations DFT, ab initio, and semi-empirical calculations for molecules and materials Spectroscopic property prediction and analysis Mechanistic studies and reaction pathway exploration Machine Learning & AI for Chemistry Development of deep learning models for property prediction, molecular generation, and conformational sampling Implementation of autoencoders, graph neural networks, and other state-of-the-art architectures Data curation, feature engineering, and model validation for chemical and biological datasets Molecular Dynamics & Multiscale Simulations Classical and enhanced sampling MD simulations for proteins, nucleic acids, and complexes Free energy calculations, binding affinity estimation, and mechanistic insights Integration of simulation data with machine learning for hybrid approaches Cheminformatics & Bioinformatics Analysis and visualization of chemical and biological data Workflow automation for large-scale data processing and modeling Custom scripting and pipeline development (Python, R, Bash, etc.) Consulting & Science Communication Literature review, project design, and result interpretation Technical writing, report generation, and clear communication for both technical and non-technical audiences Collaborative problem-solving and project management Why Work With Me? Interdisciplinary Expertise: I bridge chemistry, biology, and AI to deliver holistic solutions. Cutting-Edge Methods: I stay updated with the latest tools and techniques in computational science and machine learning. Collaborative Approach: I value clear communication, transparency, and partnership with my clients. Proven Impact: My work has contributed to peer-reviewed publications, successful collaborations, and innovative scientific outcomes. Let’s discuss how I can help you achieve your research, development, or business goals with advanced computational and AI-driven solutions!

専門分野

• ★ Computational Chemistry
• ★ Machine Learning
• ★ Drug Discovery
• ☆ Mathematical Chemistry
• ☆ Biocatalysis
• ☆ Coordination Compounds
• ☆ Physical Chemistry
• ☆ Molecular Modeling
• ☆ Molecular Docking
• ☆ Chemoinformatics
• ☆ Organometallic Chemistry
• ☆ Quantum Chemistry
• ☆ Theoretical Chemistry
• ☆ Mechanochemistry
• ☆ Physical Organic Chemistry
• ☆ Biostatistics
• ☆ Mathematical Biology
• ☆ Biochemistry
• ☆ Immunoassay
• ☆ Biochemical Assays
• ☆ Structural Biology
• ☆ Apoptosis
• ☆ Oxidative Stress & Mitochondrial Function
• ☆ Enzyme Activity Assays
• ☆ Binding Assays
• ☆ Molecular Biology
• ☆ Biomarkers
• ☆ Genetics
• ☆ Omics
• ☆ Transcriptomics
• ☆ Proteomics
• ☆ Metabolomics
• ☆ Genomics
• ☆ Epigenetics
• ☆ PCR
• ☆ Next Generation Sequencing (NGS)
• ☆ DNA Sequencing
• ☆ Protein Sequencing
• ☆ Gene Expression Analysis
• ☆ Genome Sequencing
• ☆ RNA Sequencing
• ☆ DNA Damage & Repair
• ☆ ChIP-Seq
• ☆ Cell Biology
• ☆ Cell Signaling Pathways
• ☆ Gene Regulation
• ☆ Biophysics
• ☆ Biotechnology & Bioengineering
• ☆ Data Analysis
• ☆ Computer Simulation/Computational Modeling
• ☆ Predictive Modeling & Analytics
• ☆ Data Processing
• ☆ Data Exploration
• ☆ Cluster Analysis
• ☆ Data Visualization
• ☆ Big Data Analytics
• ☆ Data Collection
• ☆ Data Management
• ☆ Data Manipulation
• ☆ Neural Networks
• ☆ Artificial Intelligence
• ☆ Deep Learning
• ☆ Statistics
• ☆ Regression Analysis
• ☆ Multivariate Analysis
• ☆ Nonlinear Regression
• ☆ Bayesian Statistics
• ☆ Correlation Analysis
• ☆ Quantum Statistics
• ☆ Mathematical Statistics
• ☆ Study Design
• ☆ Medical Statistics
• ☆ Bioinformatics
• ☆ Gene & Protein Expression Analysis
• ☆ Systems Biology
• ☆ Structural Bioinformatics
• ☆ Statistical Mechanics
• ☆ Thermodynamics
• ☆ Quantum Mechanics
• ☆ Calorimetry/Heat Transfer
• ☆ Applied Mathematics
• ☆ Mathematical Models
• ☆ Mathematical Optimization
• ☆ Computational Sciences
• ☆ Differential Equations
• ☆ Chaos Theory
• ☆ Group Theory
• ☆ Stochastic Processes
• ☆ Pure Mathematics
• ☆ Algebra
• ☆ Calculus
• ☆ Discrete Mathematics
• ☆ Integral Equations
• ☆ Biomarker Discovery
• ☆ Chemical Biology
• ☆ Blotting
• ☆ Python
• ☆ SPSS
• ☆ Matlab
• ☆ SQL
• ☆ Excel
• ☆ Tensorflow
• ☆ LaTex
• ☆ R
• ☆ Scikit-learn
• ☆ High Throughput Screening (HTS)
• ☆ Drug Target Identification
• ☆ Hit-to-Lead & Lead Optimization
• ☆ Medicinal Chemistry
• ☆ Drug Design
• ☆ Structure-Activity Relationship (SAR) Studies
• ☆ Drug Development
• ☆ Drug Formulation
• ☆ Small Molecule Drug Development
• ☆ Preclinical ADME/PK/PD
• ☆ Drug-Drug Interactions
• ☆ Preclinical Research
• ☆ Pharmacogenomics
• ☆ Bioavailability
• ☆ Precision Medicine
• ☆ Immunotherapy
• ☆ Gene Therapy

サービス

• Writing
• Research
• Consulting
• Data & AI

Writing Technical Writing

Research Gap Analysis, Scientific and Technical Research, Systematic Literature Review

Consulting Scientific and Technical Consulting

Data & AI Predictive Modeling, Statistical Analysis, Algorithm Design-ML, Data Visualization, Big Data Analytics, Data Mining, Data Processing, Data Insights

職務経験

Graduate Research Assistant

Southern Methodist University

8月 2021 - 5月 2025

Undergraduate Research Assistant

University of Redlands

5月 2020 - 5月 2021

学歴

Doctorate (Computational Chemistry)

Southern Methodist University

8月 2021 - 5月 2025

Biophysical Chemistry (Chemistry)

University of Redlands

8月 2017 - 5月 2021

認定資格

• 認定資格の詳細は未入力です。

出版物

JOURNAL ARTICLE

Hunter La Force, Marek Freindorf, Elfi Kraka (2024). Ligand Characterization and DNA Intercalation of Ru(II) Polypyridyl Complexes: A Local Vibrational Mode Study . The Journal of Physical Chemistry A.

Hunter La Force, Elfi Kraka (2023). Characterizing guanine’s binding modes with potential Ru(II) monofunctional adducts: A local vibrational mode study . Chemical Physics Letters.

Hunter La Force, Hao Tian, Xi Jiang, Sian Xiao, Eric C. Larson, Peng Tao(2022). LAST: Latent Space-Assisted Adaptive Sampling for Protein Trajectories . Journal of Chemical Information and Modeling. American Chemical Society ({ACS})

Elfi Kraka, Mateus Quintano, Hunter W. La Force, Juliana J. Antonio, Marek Freindorf(2022). The Local Vibrational Mode Theory and Its Place in the Vibrational Spectroscopy Arena . The Journal of Physical Chemistry A. 126. (47). Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString 8781--8798. American Chemical Society ({ACS})