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• MEGAN analysis of metagenomic data
  Metagenomics is the study of the genomic content of a sample of organisms obtained from a common habitat using targeted or random sequencing. Goals include understanding the extent and role of microbial diversity. The taxonomical content of such a sample is us…
  openalex Daniel H. Huson, Alexander F. Auch, Ji Qi, Stephan C. Schuster 2007-01-25 置信度 0.72 MetagenomicsBiologyComputational biologySet (abstract data type)Preprocessor
• Disentangling mechanisms that mediate the balance between stochastic and deterministic processes in microbial succession
  Ecological succession and the balance between stochastic and deterministic processes are two major themes within microbial ecology, but these conceptual domains have mostly developed independent of each other. Here we provide a framework that integrates shifts…
  openalex Francisco Dini‐Andreote, James Stegen, Jan Dirk van Elsas, Joana Falcão Salles 2015-03-02 置信度 0.72 Ecological successionEcologyConceptual modelConceptual frameworkNexus (standard)
• Exercise and associated dietary extremes impact on gut microbial diversity
  OBJECTIVE: The commensal microbiota, host immunity and metabolism participate in a signalling network, with diet influencing each component of this triad. In addition to diet, many elements of a modern lifestyle influence the gut microbiota but the degree to w…
  openalex Siobhan F. Clarke, Eileen F. Murphy, Órla O’Sullivan, Alice Lucey 等 2014-06-09 置信度 0.72 Gut floraAthletesBiologyCreatine kinasePopulation
• EMPeror: a tool for visualizing high-throughput microbial community data
  BACKGROUND: As microbial ecologists take advantage of high-throughput sequencing technologies to describe microbial communities across ever-increasing numbers of samples, new analysis tools are required to relate the distribution of microbes among larger numbe…
  openalex Yoshiki Vázquez‐Baeza, Meg Pirrung, Antonio González, Rob Knight 2013-11-26 置信度 0.72 EmperorThroughputComputer scienceData scienceData exploration
• Feeding with microbial flocs by tilapia in minimal discharge bio-flocs technology ponds
  openalex Yoram Avnimelech 2006-11-30 置信度 0.72 TilapiaSettlingBiologySuspension (topology)Animal science
• GeneMarkS: a self-training method for prediction of gene starts in microbial genomes. Implications for finding sequence motifs in regulatory regions
  Improving the accuracy of prediction of gene starts is one of a few remaining open problems in computer prediction of prokaryotic genes. Its difficulty is caused by the absence of relatively strong sequence patterns identifying true translation initiation site…
  openalex J Besemer 2001-06-15 置信度 0.72 Gene predictionBiologyGeneHidden Markov modelComputational biology
• Reproducible, interactive, scalable and extensible microbiome data science using QIIME 2
  openalex Evan Bolyen, Jai Ram Rideout, Matthew R. Dillon, Nicholas A. Bokulich 等 2019-07-24 置信度 0.72 MicrobiomeScalabilityExtensibilityComputer scienceComputational biology
• Synthetic neural-like computing in microbial consortia for pattern recognition
  Abstract Complex biological systems in nature comprise of cells that act collectively to solve sophisticated tasks. Synthetic biological systems, in contrast, are designed for specific tasks, largely following computational principles including logic gates, an…
  openalex Ximing Li, Luna Rizik, Valeriia Kravchik, Maria Khoury 等 2020-09-28T22:38:18Z 置信度 0.72 Computer scienceArtificial neural networkSynthetic biologyQuorum sensingArtificial intelligence
• Molecular computing: paths to chemical Turing machines.
  To comply with the rapidly increasing demand of information storage and processing, new strategies for computing are needed. The idea of molecular computing, where basic computations occur through molecular, supramolecular, or biomolecular approaches, rather t…
  europepmc 2015 置信度 0.80
• Molecular computing with deoxyribozymes.
  europepmc 2008 置信度 0.80
• Exercises in molecular computing.
  CONSPECTUS: The successes of electronic digital logic have transformed every aspect of human life over the last half-century. The word "computer" now signifies a ubiquitous electronic device, rather than a human occupation. Yet evidently humans, large assembli…
  europepmc 2014 置信度 0.80
• Sugar-based molecular computing by material implication.
  A method to integrate an (in principle) unlimited number of molecular logic gates to construct complex circuits is presented. Logic circuits, such as half- or full-adders, can be reinterpreted by using the functional completeness of the implication function (I…
  europepmc 2014 置信度 0.80
• Lanthanide-based logic: a venture for the future of molecular computing.
  Managing the continuous and fast-growing volume of information, the progress in the Internet-of-Things, and the evolution from digitalization to networking are huge technological chores. Si-based integrated chips face increasing demands as they strive to meet …
  europepmc 2023 置信度 0.80
• Understanding the Results of Electrostatics Calculations: Visualizing Molecular 'Isopotential' Surfaces
  This document attempts to clarify potential confusion regarding electrostatics calculations, specifically in the context of biomolecular structure and specifically as regards the units typically used to contour/visualize isopotential surfaces, potentials mappe…
  arxiv Cameron Mura 2016-06-13T02:44:38Z 置信度 0.78 q-bio.BM
• Molecular computers
  We propose the chemlambda artificial chemistry, whose behavior strongly suggests that real molecules which embed Interaction Nets patterns and real chemical reactions which resemble Interaction Nets graph rewrites could be a realistic path towards molecular co…
  arxiv Marius Buliga 2018-11-12T19:02:40Z 置信度 0.78 cs.ETq-bio.MN
• Information Theory of Molecular Communication: Directions and Challenges
  Molecular Communication (MC) is a communication strategy that uses molecules as carriers of information, and is widely used by biological cells. As an interdisciplinary topic, it has been studied by biologists, communication theorists and a growing number of i…
  arxiv Amin Gohari, Mahtab Mirmohseni, Masoumeh Nasiri-Kenari 2016-12-11T00:57:42Z 置信度 0.78 cs.IT
• High-Speed Molecular Communication in Vacuum
  Existing molecular communication systems, both theoretical and experimental, are characterized by low information rates. In this paper, inspired by time-of-flight mass spectrometry (TOFMS), we consider the design of a molecular communication system in which th…
  arxiv Taha Sajjad, Andrew W. Eckford 2023-07-21T13:17:11Z 置信度 0.78 cs.ETcs.IT
• Duality between Coronavirus Transmission and Air-based Macroscopic Molecular Communication
  This contribution exploits the duality between a viral infection process and macroscopic air-based molecular communication. Airborne aerosol and droplet transmission through human respiratory processes is modeled as an instance of a multiuser molecular communi…
  arxiv Max Schurwanz, Peter Adam Hoeher, Sunasheer Bhattacharjee, Martin Damrath 等 2020-09-10T16:15:31Z 置信度 0.78 eess.SPq-bio.QM
• Introduction: What Is Molecular Computing?
  crossref 2023-11-06T00:16:03Z 置信度 0.70
• Towards Molecular Programming — a Personal Report on DNA8 and Molecular Computing
  crossref Masami Hagiya 2011-07-18T17:28:30Z 置信度 0.70
• Contributors
  crossref 2018-12-14T01:32:26Z 置信度 0.70
• Index
  crossref 2018-12-14T01:32:26Z 置信度 0.70
• Molecular Computing and Bioinformatics
  This text will provide the most recent knowledge and advances in the area of molecular computing and bioinformatics. Molecular computing and bioinformatics have a close relationship, paying attention to the same object but working towards different orientation…
  europepmc 2019 置信度 0.80
• Models of molecular computing based on molecular reactions
  crossref Grzegorz Rozenberg 2009-04-21T22:08:40Z 置信度 0.70
• Molecular Recognition: Storage and Processing of Molecular Information
  crossref Tanya Sienko, Jean-Marie Lehn 2018-12-14T01:32:26Z 置信度 0.70
• Reservoir Computing for Molecular Swarms
  crossref Nathanael AUBERT-KATO 2026-05-24T22:10:36Z 置信度 0.70
• Molecular approach to informal computing
  crossref K.-P. Zauner, M. Conrad 2003-02-11T18:20:45Z 置信度 0.70
• Challenges in Reliable Quantum Computing
  Quantum computing is a new and promising technology with the potential of exponentially powerful computation - if only a large-scale one can be built. There are several challenges in building a large-scale quantum computer - fabrication, verification, and arch…
  crossref Diana Franklin, Frederic T. Chong 2006-02-17T19:00:02Z 置信度 0.70
• Molecular computing paradigm – toward freedom from Turing's charm
  crossref Takashi Yokomori 2003-03-21T01:22:32Z 置信度 0.70
• Parallel computing of diatomic molecular rarefied gas flows
  crossref Y. Matsumoto, T. Tokumasu 2002-07-25T15:37:06Z 置信度 0.70
• Introduction for Bio-molecular Operations on Bio-molecular Computer
  crossref Weng-Long Chang, Athanasios V. Vasilakos 2014-03-04T00:23:43Z 置信度 0.70
• Computing applications in molecular spectroscopy
  crossref A.J.B. 2003-04-23T21:27:55Z 置信度 0.70
• Bacterial Computing and Molecular Communication
  crossref Yasubumi Sakakibara, Satoshi Hiyama 2012-08-25T14:54:06Z 置信度 0.70
• Conformation-Based Computing: A Rationale and a Recipe
  crossref Michael Conrad, Klaus-Peter Zauner 2018-12-14T01:32:26Z 置信度 0.70
• Introduction
  crossref 2014-02-18T12:44:13Z 置信度 0.70
• Integrated Multiscale Modeling of Molecular Computing Devices
  Nanoscience has been one of the major research focuses of the U.S. and much of the world for the past decade, in part because of its promise to revolutionize many fields, including materials, medicine, and electronics. At the heart of this promise is the fact …
  crossref Jerzy Bernholc 2011-03-26T02:26:30Z 置信度 0.70
• Conclusions
  crossref 2014-02-18T12:44:13Z 置信度 0.70
• Emergence
  crossref 2014-02-18T12:44:13Z 置信度 0.70
• Computing in Reaction-Diffusion and Excitable Media: Case Studies of Unconventional Processors
  crossref Andrew Adamatzky 2018-12-14T01:32:26Z 置信度 0.70
• Molecular Elements of Computers
  crossref Nicholas G. Rambidi 2014-10-09T10:51:46Z 置信度 0.70
• In Memoriam
  crossref Nicholas G. Rambidi 2023-11-06T00:16:03Z 置信度 0.70
• MOLECULAR MAGNETS FOR QUANTUM COMPUTATION
  crossref Takayoshi Kuroda 2009-11-03T02:45:37Z 置信度 0.70
• Molecular Computing Machineries — Computing Models and Wet Implementations
  crossref Masami Hagiya, Satoshi Kobayashi, Ken Komiya, Fumiaki Tanaka 等 2012-08-25T14:54:06Z 置信度 0.70
• Computing dissipation for molecular-level turbulence simulations
  A major difficulty in the analysis of molecular-level simulations is that macroscopic flow quantities are inherently noisy due to molecular fluctuations. An important example for turbulent flows is the kinetic energy dissipation rate. Traditionally, this quant…
  crossref Ryan McMullen 2024-09-11T20:13:14Z 置信度 0.70
• Molecular sharing and molecular-specific representations for multimodal molecular property prediction
  crossref Xuecong Tian, Sizhe Zhang, Ying Su, Wanhua Huang 等 2024-06-18T19:36:10Z 置信度 0.70
• Molecular genetic programming
  crossref P. Wa¸siewicz, J. J. Mulawka 2003-02-11T13:20:45Z 置信度 0.70
• Chemical-Based Computing and Problems of High Computational Complexity: The Reaction-Diffusion Paradigm
  crossref Nicholas G. Rambidi 2018-12-14T01:32:26Z 置信度 0.70
• Multiple-Valued DNA Computing
  Molecular computing, or DNA (Deoxyribose Nucleic Acid) computing, is a new discipline of computer science. It s a novel method for massively parallel computation that can tackle NP-complete or non-deterministic polynomial-time complete problems in a fraction o…
  crossref Hafiz Md. Hasan Babu 2023-08-29T07:36:18Z 置信度 0.70
• Data Representation on Bio-molecular Computer
  crossref Weng-Long Chang, Athanasios V. Vasilakos 2014-03-04T00:23:43Z 置信度 0.70
• Computing at the Molecular Level
  crossref Anthony R. Pease, J. Fraser Stoddart 2007-08-07T06:03:56Z 置信度 0.70
• Computing in crystallography
  crossref C.G 2002-07-25T09:20:07Z 置信度 0.70
• Computing in crystallography
  crossref C.J.G. 2002-07-25T08:59:41Z 置信度 0.70
• Molecular Electronic Computing Architectures
  This chapter discusses several general architectural approaches that researchers are considering to build computers based on molecular-scale electronics and the advances made in these several areas in the years 1998 to 2001. It focuses upon the progress made i…
  crossref James M. Tour, Dustin K. James 2019-06-22T18:22:26Z 置信度 0.70
• DNA Molecular Computing for Secure Adaptive Continuum Intelligence
  Abstract DNA Molecular Computing for Secure Adaptive Continuum Intelligence develops a rigorous interdisciplinary framework for understanding how DNA-based information processing can contribute to secure, adaptive, and accountable computational systems operati…
  crossref Murali Krishna Pasupuleti 2026-04-29T14:43:07Z 置信度 0.70
• Defect and Fault Tolerance of Reconfigurable Molecular Computing
  Fault detection and diagnosis techniques that are essential for defect tolerance, fault tolerance and self-repair of reconfigurable molecular computing systems are discussed. These techniques enable robust molecular computing system design protected from manuf…
  crossref M.B. Tahoori, S. Mitra 2004-12-23T09:34:17Z 置信度 0.70
• Evolutive nanodevices based on molecular oxides for non-conventional computing
  Nano-composants évolutifs à base d'oxydes moléculaires pour l'informatique non conventionnelle Les polyoxométallates (POMs) sont des oxydes moléculaires nanométriques aux propriétés redox remarquables qui peuvent être explorées dans le cadre de composants avan…
  crossref Cécile Huez 2026-04-07T10:49:28Z 置信度 0.70
• Review for "Artificial neural network encoding of molecular wavefunctions for quantum computing"
  crossref 2024-09-27T00:04:51Z 置信度 0.70
• Molecular Distance Application Using GAALOPWeb for Mathematica
  GAALOPWeb for Mathematica supports the Mathematica user with an intuitive interface for the development, testing and visualization of Geometric Algebra algorithms, combining the geometric intuitiveness of Geometric Algebra with an efficient development of algo…
  crossref Dietmar Hildenbrand 2021-08-31T18:03:51Z 置信度 0.70
• Multiple-Valued DNA-Quantum Computing
  DNA computing performs computations using biological molecules rather than traditional silicon chips. It has more advantages over conventional computers. Multiple-valued DNA-Quantum computing is an integrated computing system where the first portion of computa…
  crossref Hafiz Md. Hasan Babu 2023-08-29T07:36:18Z 置信度 0.70
• Parallel molecular dynamics of biomolecules
  crossref H Schreiber, O Steinhauser, P Schuster 2003-09-03T17:52:02Z 置信度 0.70
• Multiple-Valued Quantum-DNA Computing
  Quantum and DNA computing are both distributed and parallel types of computing. They re useful for tasks that require high-complexity computations and/or large data sets, such as searching, sorting, merging, pattern recognition, image processing, and encryptio…
  crossref Hafiz Md. Hasan Babu 2023-08-29T07:36:18Z 置信度 0.70
• Efficient parallel algorithms for molecular dynamics simulations
  crossref Ravi Murty, Daniel Okunbor 2003-04-25T04:06:40Z 置信度 0.70
• Bioelectronics and Biocomputers
  crossref Satoshi Sasaki, Isao Karube 2018-12-14T01:32:26Z 置信度 0.70
• Introduction to Digital Computers and Bio-molecular Computer
  crossref Weng-Long Chang, Athanasios V. Vasilakos 2014-03-04T00:23:43Z 置信度 0.70
• Mol‐BERT: An Effective Molecular Representation with BERT for Molecular Property Prediction
  Molecular property prediction is an essential task in drug discovery. Most computational approaches with deep learning techniques either focus on designing novel molecular representation or combining with some advanced models together. However, researchers pay…
  crossref Juncai Li, Xiaofei Jiang 2021-09-04T02:50:08Z 置信度 0.70
• Introduction for Number Representation on Bio-molecular Computer
  crossref Weng-Long Chang, Athanasios V. Vasilakos 2014-03-04T00:23:43Z 置信度 0.70
• Molecular Computing And The Chemical Elements Of Logic
  Future developments in molecular electronicsi-b not only offer the possibility of high density archival memories, 1015 to 1018 gates/cc, but also new routes to fabrication of high levels of parallel processors (> 106) and hence to new computer architectures. A…
  crossref Forrest L. Carter 2012-10-02T20:42:17Z 置信度 0.70
• Wavelet BEM on molecular surfaces: solvent excluded surfaces
  crossref H. Harbrecht, M. Randrianarivony 2011-03-04T09:28:52Z 置信度 0.70
• Parallel algorithm for molecular dynamics integration
  crossref Roman Trobec, Izidor Jerebic, Dušanka Janežič 2003-09-03T13:52:02Z 置信度 0.70
• Wavelet BEM on molecular surfaces: parametrization and implementation
  crossref Helmut Harbrecht, Maharavo Randrianarivony 2009-07-28T12:07:28Z 置信度 0.70
• Final Report for Integrated Multiscale Modeling of Molecular Computing Devices
  In collaboration with researchers at Vanderbilt University, North Carolina State University, Princeton and Oakridge National Laboratory we developed multiscale modeling and simulation methods capable of modeling the synthesis, assembly, and operation of molecu…
  crossref Sharon C. Glotzer 2013-10-04T22:19:38Z 置信度 0.70
• Introduction to Arithmetic Operations on Bits on Bio-molecular Computer
  crossref Weng-Long Chang, Athanasios V. Vasilakos 2014-03-04T00:23:43Z 置信度 0.70
• Molecular Science Computing Facility Scientific Challenges: Linking Across Scales
  The purpose of this document is to define the evolving science drivers for performing environmental molecular research at the William R. Wiley Environmental Molecular Sciences Laboratory (EMSL) and to provide guidance associated with the next-generation high-p…
  crossref Wibe A. De Jong 2007-04-10T00:23:50Z 置信度 0.70
• Introduction to Logic Operations on Bits on Bio-molecular Computer
  crossref Weng-Long Chang, Athanasios V. Vasilakos 2014-03-04T00:23:43Z 置信度 0.70
• Review for "Fault-tolerant computing with single-qudit encoding in a molecular spin"
  crossref 2024-07-26T17:02:28Z 置信度 0.70
• Molecular Dynamics Simulations for Computing Thermal Conductivity of Nanomaterials: Molecular Dynamics Simulations for Computing Thermal Conductivity of Nanomaterials
  crossref Jie Chen, Gang Zhang, Baowen Li 2015-02-11T18:19:33Z 置信度 0.70
• Molecular Electronic Computing Architectures
  Technology development and industrial competition have been driving the semiconductor industry to produce smaller, faster, and more powerful logic devices. That the number of transistors per integrated circuit will double every 18-24 months due to advancements…
  crossref 2020-12-22T15:37:33Z 置信度 0.70
• Cross-Layer Molecular–Quantum–AI Computing under Sovereign Constraints
  Abstract: Cross-Layer Molecular-Quantum-AI Computing under Sovereign Constraints develops a rigorous scholarly architecture for integrating molecular representation, quantum computation, artificial intelligence, scalable data engineering, and jurisdiction-awar…
  crossref Murali Krishna Pasupuleti 2026-04-29T12:55:20Z 置信度 0.70
• Basics of Molecular Biology
  crossref 2007-06-05T15:11:11Z 置信度 0.70
• Interdimensional Information Systems: The Arkhe(n) Framework From Quantum Blockchain Detectors to RNA Computing and the Neural-Molecular Interface
  crossref Rafael Oliveira 2026-03-17T19:23:50Z 置信度 0.70
• First-Principles Molecular Dynamics
  crossref 2013-01-27T19:59:46Z 置信度 0.70
• Quantum computing using molecular vibrational and rotational modes
  Elementary quantum gates have been constructed using molecular vibrational and rotational modes to encode two qubits and implement the Deutsch–Jozsa algorithm. The molecular system chosen was 12C16O. Several phase-correct global quantum gates were constructed …
  crossref K. Shioya, K. Mishima, K. Yamashita 2007-06-19T00:22:56Z 置信度 0.70
• DNA Molecular Computing with Weighted Signal Amplification for Cancer miRNA Biomarker Diagnostics.
  The expression levels of microRNAs (miRNAs) are strongly linked to cancer progression, making them promising biomarkers for cancer detection. Enzyme-free signal amplification DNA circuits have facilitated the detection of low-abundance miRNAs. However, these m…
  europepmc Hongyang Zhao, Yumin Yan, Linghao Zhang, Xin Li 等 2025 置信度 0.80 microRNABiomarkerCancerComputational biologyLung cancer
• DNA Logic Gates Integrated on DNA Substrates in Molecular Computing.
  Due to nucleic acid's programmability, it is possible to realize DNA structures with computing functions, and thus a new generation of molecular computers is evolving to solve biological and medical problems. Pioneered by Milan Stojanovic, Boolean DNA logic ga…
  europepmc 2024 置信度 0.80
• Path-Independent All-Visible Orthogonal Photoswitching for Applications in Multi-Photochromic Polymers and Molecular Computing.
  Synthetic molecular photoswitches have taken center stage as high-precision tools to introduce light-responsiveness at the smallest scales. Today they are found in all areas of applied chemistry, covering materials research, chemical biology, catalysis, or nan…
  europepmc 2024 置信度 0.80
• Allosteric Nucleic Acid Enzyme: A Versatile Stimuli-Responsive Tool for Molecular Computing and Biosensing Nanodevices.
  Allostery is a naturally occurring mechanism in which effector binding induces the modulation and fine control of a related biomolecule function. Deoxyribozyme (DNAzyme) with catalytic activity and substrate recognition ability is ideal to be regulated by allo…
  europepmc 2023 置信度 0.80
• Photocleavable DNA Nanotube-Based Dual-Amplified Resonance Rayleigh Scattering System for MicroRNA Detection Incorporating Molecular Computing-Cascaded Keypad Lock Functionality.
  Cascade molecular events in complex systems are of vital importance for enhancing molecular diagnosis and information processing. However, the conversion of a cascaded biosensing system into a multilayer encrypted molecular keypad lock remains a significant ch…
  europepmc 2024 置信度 0.80
• The art of molecular computing: Whence and whither.
  An astonishingly diverse biomolecular circuitry orchestrates the functioning machinery underlying every living cell. These biomolecules and their circuits have been engineered not only for various industrial applications but also to perform other atypical func…
  europepmc 2021 置信度 0.80
• Editorial: Fundamental principles of biological computation: From molecular computing to evolutionary complexity.
  europepmc 2022 置信度 0.80
• Engineering calcium signaling of astrocytes for neural-molecular computing logic gates.
  This paper proposes the use of astrocytes to realize Boolean logic gates, through manipulation of the threshold of [Formula: see text] ion flows between the cells based on the input signals. Through wet-lab experiments that engineer the astrocytes cells with p…
  europepmc 2021 置信度 0.80
• Noise control for molecular computing.
  Synthetic biology is a growing interdisciplinary field, with far-reaching applications, which aims to design biochemical systems that behave in a desired manner. With the advancement in nucleic-acid-based technology in general, and strand-displacement DNA comp…
  europepmc 2018 置信度 0.80
• A Molecular Computing Approach to Solving Optimization Problems via Programmable Microdroplet Arrays
  The search for novel forms of computing that show advantages as alternatives to the dominant von-Neuman model-based computing is important as it will enable different classes of problems to be solved. By using droplets and room-temperature processes, molecular…
  europepmc 2019 置信度 0.80
• Molecular computing: in situ computation of cell identity.
  europepmc 2013 置信度 0.80
• Molecular Engineering of Interlayer Spacings in 2D Dion-Jacobson Perovskites for High-Fidelity Neuromorphic Computing.
  The development of memristive devices is important for energy-efficient neuromorphic computing. While two-dimensional (2D) organic-inorganic hybrid perovskites offer structural tunability and improved stability, the correlation between their molecular-level in…
  europepmc 2026 置信度 0.80
• Corrigendum to "Cooperative multi-task learning and interpretable image biomarkers for glioma grading and molecular subtyping" [Medical Image Analysis 101 (2025) 103435].
  europepmc 2026 置信度 0.80
• A Parallel Biological Optimization Algorithm to Solve the Unbalanced Assignment Problem Based on DNA Molecular Computing.
  The unbalanced assignment problem (UAP) is to optimally resolve the problem of assigning n jobs to m individuals (m < n), such that minimum cost or maximum profit obtained. It is a vitally important Non-deterministic Polynomial (NP) complete problem in operati…
  europepmc Zhaocai Wang, Jun Pu, Liling Cao, Jian Tan 2015 置信度 0.80 Computer scienceAlgorithmDNA computingOptimization algorithmParallel computing
• The quantum ensemble variational optimization algorithm: Applications to molecular inverse design.
  Designing molecules with optimized properties remains a fundamental challenge due to the intricate relationship between molecular structure and properties. Traditional computational approaches that address the combinatorial number of possible molecular designs…
  europepmc 2026 置信度 0.80
• Introducing non-enzymatic crosslinks into atomistic simulations of collagen fibrils.
  Motivation Collagen fibrils are the primary load-bearing units of connective tissues. However, generating atomistic, simulation-ready models remains challenging due to collagen's hierarchical organization and the diversity of its crosslinking network across ti…
  europepmc 2026 置信度 0.80
• Solvation Shapes the Conformational Landscape of a Therapeutically Relevant SMN2 Splice-Site Defect
  The SMN2 exon 7 5’ splice-site/U1 snRNA duplex contains an A −1 bulge that weakens splice-site recognition and represents a therapeutically relevant RNA connectivity defect, yet its conformational landscape and coupling to solvation remain poorly understood. H…
  europepmc 2026 置信度 0.80
• Navigating chemical-linguistic sharing space with heterogeneous molecular encoding.
  Chemical language models are powerful tools for navigating chemical space, but their reliance on linear representations such as molecular strings creates a semantic gap, hindering their ability to bridge natural language with the full complexity of molecular s…
  europepmc 2026 置信度 0.80