Filtry
wszystkich: 2928
-
Katalog
- Publikacje 2518 wyników po odfiltrowaniu
- Czasopisma 222 wyników po odfiltrowaniu
- Konferencje 3 wyników po odfiltrowaniu
- Osoby 32 wyników po odfiltrowaniu
- Projekty 4 wyników po odfiltrowaniu
- Kursy Online 13 wyników po odfiltrowaniu
- Wydarzenia 2 wyników po odfiltrowaniu
- Dane Badawcze 134 wyników po odfiltrowaniu
wyświetlamy 1000 najlepszych wyników Pomoc
Wyniki wyszukiwania dla: MOLECULAR CHAPERONES
-
Pre‐exascale HPC approaches for molecular dynamics simulations. Covid‐19 research: A use case
PublikacjaExascale computing has been a dream for ages and is close to becoming a reality that will impact how molecular simulations are being performed, as well as the quantity and quality of the information derived for them. We review how the biomolecular simulations field is anticipating these new architectures, making emphasis on recent work from groups in the BioExcel Center of Excellence for High Performance Computing. We exemplified...
-
Silica In Silico: A Molecular Dynamics Characterization of the Early Stages of Protein Embedding for Atom Probe Tomography
PublikacjaA novel procedure for the application of atom probe tomography (APT) to the structural analysis of biological systems, has been recently proposed, whereby the specimen is embedded by a silica matrix and ablated by a pulsed laser source. Such a technique, requires that the silica primer be properly inert and bio-compatible, keeping the native structural features of the system at hand, while condensing into an amorphous, glass-like...
-
Mechanical Properties of Twisted Carbon Nanotube Bundles with Carbon Linkers from Molecular Dynamics Simulations
PublikacjaThe manufacturing of high-modulus, high-strength fibers is of paramount importance for real-world, high-end applications. In this respect, carbon nanotubes represent the ideal candidates for realizing such fibers. However, their remarkable mechanical performance is difficult to bring up to the macroscale, due to the low load transfer within the fiber. A strategy to increase such load transfer is the introduction of chemical linkers...
-
CRITICAL REVIEWS IN BIOCHEMISTRY AND MOLECULAR BIOLOGY
Czasopisma -
Advances In Atomic Molecular and Optical Physics
Czasopisma -
International Journal of Molecular and Cellular Medicine
Czasopisma -
Statistical Applications in Genetics and Molecular Biology
Czasopisma -
International Journal of Molecular Epidemiology and Genetics
Czasopisma -
Hormone Molecular Biology and Clinical Investigation
Czasopisma -
MOLECULAR AND QUANTUM ACOUSTICS. ANNUAL JOURNAL
Czasopisma -
Methods in molecular biology (Clifton, N.J.)
Czasopisma -
Malaysian Journal of Biochemistry and Molecular Biology
Czasopisma -
Molecular Therapy-Methods & Clinical Development
Czasopisma -
European Journal of Molecular and Clinical Medicine
Czasopisma -
Plant Cell Biotechnology and Molecular Biology
Czasopisma -
JOURNAL OF STEROID BIOCHEMISTRY AND MOLECULAR BIOLOGY
Czasopisma -
Chinese Journal of Biochemistry and Molecular Biology
Czasopisma -
NATURE REVIEWS MOLECULAR CELL BIOLOGY
Czasopisma -
International Review of Cell and Molecular Biology
Czasopisma -
JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN
Czasopisma -
JOURNAL OF MOLECULAR CATALYSIS B-ENZYMATIC
Czasopisma -
Progress in Molecular Biology and Translational Science
Czasopisma -
Theoretical designing of selenium heterocyclic non-fullerene acceptors with enhanced power conversion efficiency for organic solar cells: a DFT/TD-DFT-based prediction and understanding
PublikacjaIn this study, we have designed and explored a new series of non-fullerene acceptors for possible applications in organic solar cells. We have designed four molecules named as APH1 to APH4 after end-capped modification of recently synthesized Y6-Se-4Cl molecule. Density functional theory and time dependent-density functional theory have been employed for computing geometric and photovoltaic parameters of the designed molecules....
-
Born-Oppenheimer potential energy curves of the NaK molecule
Dane BadawczeAdiabatic potential energy curves (APEC) of the singlet (s) and triplet (t) Sigma+, Pi, and Delta electronic states have been calculated for the NaK molecule. All results of the presented molecular states have been obtained by the nonrelativistic multireference configuration interaction (MRCI) method used with pseudopotentials describing the interaction...
-
Linear and nonlinear Stark effect in a triangular molecule
Publikacja -
Electron collision with sulfuryl chloride (SO2Cl2) molecule
PublikacjaStosując liniową metodę transmisyjną zmierzono całkowite przekroje czynne (TCS) na zderzenie elektronów z drobinami SO2Cl2 w zakresie energii 0.5-150 eV. Stwierdzono obecność głębokiego minimum przy ok. 1.8 eV i szerokiego maksimum w pobliżu 9.5 eV. Przeprowadzono porównanie z dostępnymi wynikami dla innych związków zawierających grupę sulfonową.
-
Molecular profiles of thyroid cancer subtypes: Classification based on features of tissue revealed by mass spectrometry imaging
Publikacja -
Adhesion of the genome-sequenced Lactococcus lactis subsp. cremoris IBB477 strain is mediated by specific molecular determinants
Publikacja -
Mass spectrometry-based serum proteome pattern analysis in molecular diagnostics of early stage breast cancer
Publikacja -
Theoretical Design of the Molecular Structure of Bent-Core Mesogens with Large Second-Order Nonlinear Optical Properties
PublikacjaABSTRACT: The first hyperpolarizability of two series of moleculeswith bent-shaped structures has been calculated at the ab initio level.The two series consist of carboxyl derivatives for which somemolecules are known to exhibit banana phases and of their sulfinatehomologues that have not been synthesized yet. The final purpose isto reveal the relevance or not in synthesizing these latter molecules.The strategy is based on reporting...
-
TiCoCrFeMn (BCC + C14) High-Entropy Alloy Multiphase Structure Analysis Based on the Theory of Molecular Orbitals
Publikacja -
Collagen Type II—Chitosan Interactions as Dependent on Hydroxylation and Acetylation Inferred from Molecular Dynamics Simulations
PublikacjaChitosan–collagen blends have been widely applied in tissue engineering, joints diseases treatment, and many other biomedical fields. Understanding the affinity between chitosan and collagen type II is particularly relevant in the context of mechanical properties modulation, which is closely associated with designing biomaterials suitable for cartilage and synovial fluid regeneration. However, many structural features influence...
-
Steroidal Molecular Rotors with 1,4-Diethynylphenylene Rotators: Experimental and Theoretical Investigations Toward Seeking Efficient Properties
Publikacja -
Conformational Studies of Two Bradykinin Antagonists by Using Two-dimensional NMR Techniques and Molecular Dynamics Simulations
Publikacja -
Molecular processes induced in primed seeds—increasing the potential to stabilize crop yields under drought conditions
Publikacja -
Combining the MARTINI and Structure-Based Coarse-Grained Approaches for the Molecular Dynamics Studies of Conformational Transitions in Proteins
Publikacja -
Molecular basis for the bifunctional Uba4–Urm1 sulfur‐relay system in tRNA thiolation and ubiquitin‐like conjugation
Publikacja -
Molecular simulations study of ligand-release mechanism in an odorant-binding protein from the southern house mosquito
Publikacja -
Hyperosmolarity adversely impacts recombinant protein synthesis by Yarrowia lipolytica—molecular background revealed by quantitative proteomics
Publikacja -
Experimental verification of multiband system of non coantact temperature measurements. IV Workshop on Atomic and Molecular Physics.
PublikacjaW pracy przedstawiono wielopasmowy optoelektroniczny system do bezkontaktowych pomiarów temperatury wykonane za jego pomocą w zakresie od 250 do 390 stopni Celsjusza. Przeprowadzono dyskusję błędów pomiarowych i porównano otrzymane rezultaty z wynikami modelowania komputerowego.
-
Raman investigation of minor component reaction during polymer synthesisprocess. IV Workshop on Atomic and Molecular Physics.
PublikacjaWykonano badania ramanowskie reakcji zachodzących podczas procesu wytwarzania polimerów hybrydowych w ich części organicznej. Optyczne monitorowanie przebiegu reakcji w czasie rzeczywistym umożliwiło zbadanie ich efektywności oraz czasu trwania. Wyjaśniono też rolę katalizatorów.
-
Determination of ionic concentration in water using reflectometric optical reader. IV Workshopon Atomic and Molecular Physics.
PublikacjaW artykule zaprezentowano reflektometryczną metodę oznaczania stężenia jonów w wodzie wykorzystując suche testy. Kształt widma reflektancyjnego pola testowego jest proporcjonalny do stężenia jonu w roztworze.
-
Analysis of spectral data by complementary methods. Inspection of the molecular complex in N,N-dimethylformamide - methanol mixtures
PublikacjaDane widmowe FTIR mieszanin N,N-dimetyloformamidu z metanolem poddano anlizie faktorowej oraz analizie metodą ważonych widm różnicowych. Przydatność obu metod analizy w odniesieniu do układów z wiązaniem wodorowym poddano krytycznej dyskusji. Stwierdzono obecność kompleksu molekularnego typu 1:1 w całym zakresie składów mieszanin. Forma tego kompleksu zależy jednak od składu roztworu. Postulowano występowanie słabych wiązań wodorowych...
-
Mechanism of recognition of parallel G-quadruplexes by DEAH/RHAU helicase DHX36 explored by molecular dynamics simulations
Publikacja -
Conformational studies of [Nphe5]SFTI-1 by means of 2D NMR spectroscopy in conjunction with molecular dynamics calculations
Publikacja -
Molecular dynamics study of a gelsolin-derived peptide binding to a lipid bilayer containing phosphatidylinositol 4,5-bisphosphate
Publikacja -
Structure determination of UL49.5 transmembrane protein from bovine herpesvirus 1 by NMR spectroscopy and molecular dynamics
Publikacja -
Multiple β-sheet molecular dynamics of amyloid formation from two ABl-SH3 domain peptides
Publikacja -
Specific Binding of Cholesterol to the Amyloid Precursor Protein: Structure of the Complex and Driving Forces Characterized in Molecular Detail
PublikacjaC99 is the C-terminal membrane-bound fragment of the amyloid precursor protein that is cleaved by γ-secretase to release Aβ peptides, the hallmark of Alzheimer’s disease (AD). Specific interactions of C99 with cholesterol have been proposed to underlie the recognized role of cholesterol in promoting amyloidogenesis. By using molecular dynamics simulations, we studied cholesterol binding to C99 in a lipid bilayer. We determined...
-
Investigation of volatile low molecular weight compounds formed during continuous reclaiming of ground tire rubber
PublikacjaGround tire rubber was thermo-mechanically reclaimed at different temperature conditions (80, 120, 160 °C) using a co-rotating twin screw extruder. The progress of ground tire rubber reclaiming was evaluated with specific mechanical energy, sol fraction and thermogravimetric analysis. Volatile organic compounds (VOCs) including volatile sulfur compounds (VCSs) released from ground tire rubber and ground tire rubber after reclaiming...