
Optimization techniques in molecular structure and function …
Abstract This paper discusses recent optimization approaches to the protein side-chain prediction problem, protein structural alignment, and molecular structure determination from X-ray …
COSMO: A dynamic programming algorithm for multicriteria codon optimization
Jan 1, 2020 · In the present study, we propose a novel DP algorithm, COSMO (Codon Optimization Strategy with Multiple Objectives), for solving multicriteria codon optimization …
Pareto optimization in algebraic dynamic programming | Algorithms …
Jul 7, 2015 · We study exact Pareto optimization for two objectives in a dynamic programming framework. We define a binary Pareto product operator on arbitrary scoring schemes.
Molecular Structure Optimization Based on Electrons–Nuclei …
In this study, we propose a method for optimizing molecular structures based on quantum dynamics computations with working on an FTQC in mind. In our method, the many-body …
Incorporating chemical modification constraints into a dynamic ...
May 3, 2004 · In this study, a dynamic programming algorithm for prediction of RNA secondary structure has been revised to use experimentally determined chemical modification …
Results: This article introduces a systematic method for constructing dynamic programming solutions to problems in biosequence analysis. By a conceptual splitting of the algorithm into a …
Automated design of dynamic programming schemes for RNA …
Dec 1, 2023 · There exist various RNA folding algorithms that predict an optimal secondary structure as minimum free energy structure of the given RNA sequence in suitable …
Dynamic many-objective molecular optimization | Proceedings …
To fill this gap, we propose DyMol, the first method designed to tackle the dynamic many-objective molecular optimization problem by utilizing a novel divide-and-conquer approach …
Dynamic programming algorithm for codon context optimization
Papamichail et al. (2018) study the codon optimization problem when the objectives are CAI and CPB and suggest a polynomial, but an inefficient dynamic programming algorithm to find a …
Reinforcement Learning for Molecular Dynamics Optimization: A ...
Our method uses a reinforcement learning framework that integrates Soft Actor-Critic (SAC) for policy optimization and the Pontryagin Maximum Principle (PMP) to capture molecular …