12 papers · ranked by Valyu relevance
Mohadeseh Zarei Ghoabdi, Elaheh Afsaneh
Quantum machine learning algorithms using the power of quantum computing provide fast- developing approaches for solving complicated problems and speeding-up calculations for big data. As such, they could effectively operate better than the classical algorithms. Herein, we demonstrate for the first time the…
Bayo Lau, Prashant S. Emani, Jackson Chapman, Lijing Yao + 5 more
While many quantum computing (QC) methods promise theoretical advantages over classical counterparts, quantum hardware remains limited. Exploiting near-term QC in computer-aided drug design (CADD) thus requires judicious partitioning between classical and quantum calculations. We present HypaCADD, a hybrid…
Ashar J. Malik, Chandra S. Verma
Quantum computers have demonstrated advantage in tackling problems considered hard for classical computers and hold promise for tackling complex problems in molecular mechanics such as mapping the conformational landscapes of biomolecules. This work attempts to explore a few ways in which classical data, relating to…
Patrícia Verdugo Pascoal, Deborah Bambil, Rayane N. Lima, Marco Antônio de Oliveira + 3 more
Quantum biology is an emergent field that investigates quantum-mechanical phenomena, such as superposition, tunneling, and entanglement, in the context of data manipulation from living systems. The exploration and engineering of nucleotide sequences rely on quantum mechanical principles, particularly the use of qubit…
Weitang Li, Zhi Yin, Xiaoran Li, Dongqiang Ma + 8 more
Quantum computing, with its superior computational capabilities compared to classical approaches, holds the potential to revolutionize numerous scientific domains, including pharmaceuticals. However, the application of quantum computing for drug discovery has primarily been limited to proof-of-concept studies, which…
Patrícia Verdugo Pascoal, Deborah Bambil, Luisa Mayumi Arake de Tacca, Rayane Nunes Lima + 3 more
The accelerated exploration and engineering of nucleotide sequences are directed towards quantum mechanics and their intrinsic entanglements, implementing the qubits states, including the development of algorithms. The production rate of biological sequencing data has increased to approximately 1 Gb/h, but the ability…
Christos Papalitsas, Ioannis Mouratidis, Michail Patsakis, Evangelos Stogiannos + 2 more
The exponential growth of publicly available genomic data has created unprecedented opportunities for sequence-based discovery. Locating specific k-mers is fundamental to diverse applications, including metagenomic classification, pathogen and cancer detection, and variant calling yet efficient identification of…
Samarth Sandeep, Sona Aramyan, Armen H. Poghosyan, Vaibhav Gupta
Determining an optimal protein configuration for the employment of protein binding analysis as completed by Temperature based Replica Exchange Molecular Dynamics (T-REMD) is an important process in the accurate depiction of a protein’s behavior in different solvent environments, especially when determining a protein’s…
Don Roosan, Samira Samrose, Rubayat Khan, Saif Nirzhor + 1 more
Predicting protein–ligand binding affinity is a fundamental challenge in computational biology and drug discovery, complicated by diverse factors including protein sequence variability, ligand chemical diversity, and structural resolution. Here, we present an integrative study that combines classical machine learning…
Kai Wen, Jinyin Zha, Shaobo Chen, Jie Zhong + 26 more
Coherent Ising machines (CIMs) excel at solving large-scale combinational optimization problems (COPs), but their insufficient long-term stability has hindered their applications in compute-intensive tasks like computer-aided drug discovery (CADD). By improving fiber vibration isolation and temperature control system…
Samarth Sandeep, Vaibhav Gupta, Torin Keenan
Iff Technologies has constructed a tool named Polar+ that can predict protein-to-protein binding sites on a given receptor protein that operates faster and at a higher quality than the prominent industry standards for protein binding, including Autodock Vina and SwissDock. The ability to provide this advantage comes…
Lewis Grozinger, Jesús Miró-Bueno, Ángel Goñi-Moreño
The programming of computations in living cells can be done by manipulating information flows within genetic networks. Typically, a single bit of information is encoded by a single gene’s steady state expression. Expression is discretized into high and low levels that correspond to 0 and 1 logic values, analogous to…