Keywords: NA; CVDs; cardiovascular diseases; sEH; soluble epoxide hydrolase; MD; molecular dynamics; EETs; epoxyeicosatrienoic acids; DHETs; dihydroxy-eicosatrienoic acids; MM/PBSA; molecular mechanics poisson-boltzmann surface area; ROF; rule of five; NVT; number of p
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Keywords: NA; AWST-R; Aktiver Wortschatztest - Revision; FMs; fidgety movements; GMA; General Movement Assessment; HAWIK; Hamburg-Wechsler-Intelligenztest für Kinder; MND; minor neurological dysfunction; MOS; motor optimality score; NVT; Noun-Verb Test; PPVT-III; Pe
Keywords: NA; MD; molecular dynamics; VDW; van der Waals; VSD; ventricular septal defect; ANOVA; analysis of variance; PPO; protoporphyrinogen oxidase; NMR; nuclear magnetic resonance; TI; thermodynamic integration; NVT; constant number (N), volume (V), and temperature
Keywords: NA; Community-acquired pneumonia; Invasive pneumococcal disease; Pneumococcal conjugate vaccine; Streptococcus pneumoniae; ABC; Active Bacterial Core surveillance; ACIP; Advisory Committee on Immunization Practices; BAC; bacteremic; CAP; community acquired pn
Keywords: NA; MMP-9; matrix metalloproteinase-9; TCM; traditional Chinese medicine; MD; molecular dynamics; QSAR; quantitative structure-activity relationship; LINCS; linear constraint solver; NVT; constant temperature dynamics; NPT; constant pressure and temperature
Keywords: NA; ADA; Adenosine Deaminase; MD; molecular dynamics; DEG; Database of Essential Genes; ROF; Lipinski's rule of five; MW; molecular weight; clogP; Octanol-water partition co-efficient; HBD; hydrogen bond donor; HBA; hydrogen bond acceptor; NVT; Number of part
Keywords: NA; urinary bladder; urinary diversion; cystectomy; robotics; penile erection; DF; Denonvilliers' fascia; EBL; estimated blood loss; EF; erectile function; EFR; EF recovery rate; nsRARC; nerve sparing RARC; NVT; neurovascular tissue; ORC; open radical cyst
Keywords: NA; OPLS/AA; all-atom optimised-potentials; SPC/E; extended simple point charge; MD; molecular dynamics; NPT; isothermal-isobaric ensemble; NVT; canonical ensemble; MSD; mean squared displacement; SD; standard deviation; ANOVA; analysis of variance; RDF; ra
Keywords: NA; AOM; acute otitis media; CI; confidence interval; CVE; Centro de Vigilância Epidemiológica; IAL; Instituto Adolfo Lutz; IPD; invasive pneumococcal disease; NS; statistically non-significant; NTHi; non-typeable Haemophilus influenzae; NVT; non-vaccine ty
Keywords: NA; EPI; expanded program on immunization; HibCV; Haemophilus influenzae type b conjugate vaccine; NICD; National Institute for Communicable Diseases; NP; nasopharyngeal; NPS; nasopharyngeal swabs; NVT; pneumococcal non-vaccine serotype; PCV; pneumococcal con
Keywords: NA; Thermal spray coating; Molecular dynamics; Copper; Particle impact; Flattening aspect ratio; BCC; body centred cubic; CR; cooling rate; CNA; common neighbour analysis; DXA; dislocation extraction algorithm; E; activation energy; Exx; strain tensor in x, y
Keywords: NA; PCV; pneumococcal conjugate vaccine; VEcol; vaccine efficacy against colonisation; VEacq; vaccine efficacy against acquisition of colonisation; VET; combined vaccine efficacy against acquisition and duration of colonisation; VT; vaccine (sero)type(s); NVT
Keywords: NA; OR; odds ratio; PCV; pneumococcal conjugate vaccine; VEcol; vaccine efficacy against colonisation; VEacq; vaccine efficacy against acquisition of colonisation; VET; combined vaccine efficacy against acquisition and duration of colonisation; VT; vaccine (s
Ranibizumab Plus Panretinal Photocoagulation versus Panretinal Photocoagulation Alone for High-Risk Proliferative Diabetic Retinopathy (PROTEUS Study)
Keywords: NA; AE; adverse event; BCVA; best-corrected visual acuity; DA; disc area; DME; diabetic macular edema; ETDRS; Early Treatment Diabetic Retinopathy Study; FAS; full analysis set; HbA1C; glycated hemoglobin; HR-PDR; high-risk proliferative diabetic retinopathy;
Cyclic adsorption of water vapour on CuBTC MOF: Sustaining the hydrothermal stability under non-equilibrium conditions
Keywords: NA; BET; Brunauer-Emmett-Teller theory; CMC; Canonical Monte Carlo simulation; DFT; density functional theory; DSC; differential scanning calorimeter analysis; DMF; dimethylformamide; FTIR; Fourier transform infrared spectroscopy; GCMC; Grand Canonical Mo
Scaffold-based novel SHP2 allosteric inhibitors design using Receptor-Ligand pharmacophore model, virtual screening and molecular dynamics
Keywords: NA; SPB; structure based pharmacophore; ADMET; absorption, distribution, metabolism, excretion, and toxicity; TCPTP; T cell protein-tyrosinephosphatase; PTP1B; protein tyrosine phosphatase 1B; NS; Noonan Syndrome; JMML; juvenile myelomonocytic leukemia; AML;
Discovery of novel dengue virus NS5 methyltransferase non-nucleoside inhibitors by fragment-based drug design
Keywords: NA; Phenyl [(phenylcarbamoyl)amino]benzene-1-sulfonate derivatives; N-Phenyl-[(phenylcarbamoyl)amino]benzene-1-sulfonamide derivatives; Fragment-linking strategy; Dengue virus; NS5 methyltransferase inhibitors; Antiviral activity; DENV; dengue virus; NS; non-
Conformation switching of AIM2 PYD domain revealed by NMR relaxation and MD simulation
Keywords: NA; AIM2; PYD; NMR; MD; Conformation exchange; AIM2; absent in melanoma 2; PYD; pyrin domain; NMR; nuclear magnetic resonance; ASC; apoptosis-associated speck-like protein containing a caspase-activation and recruitment domain (CARD); CARD; caspase-activation
Molecular modeling and molecular dynamics simulations of GPI 14 in Leishmania major: Insight into the catalytic site for active site directed drug design
Keywords: NA; CL; cutaneous leishmaniasis; MCL; mucocutaneous leishmaniasis; VL; visceral leishmaniasis; LPG; lipophosphoglycan; GIPLs; glycoinositolphospholipids; GPI; glycosylphosphatidylinositol; iNOS; inducible nitric oxide synthase; NO; nitric oxide; PPG; proteoph
Influence of the geometrical properties of the carbon nanotubes on the interfacial behavior of epoxy/CNT composites: A molecular modelling approach
Keywords: NA; AFM; atomic force microscope; CNT; carbon nanotube; DWCNT; double walled carbon nanotube; FEM; finite elements method; IFSS; interfacial shear strength; MD; molecular dynamics; MM; molecular mechanics; MS5.0; Materials studio 5.0; MWCNT; multiwalled carbo
Incidence and risk factors for developing venous thromboembolism in Japanese with diffuse large b-cell lymphoma
Keywords: NA; VTE; venous thromboembolism; DLBCL; diffuse large B cell lymphoma; DVT; deep vein thrombosis; PE; pulmonary embolism; NVT; neck vein thrombosis; PS; performance status; LDH; lactate dehydrogenase; IPI; International Prognostic Index; ECOG; Eastern Coopera
Impact of pneumococcal vaccination in Denmark during the first 3 years after PCV introduction in the childhood immunization programme
Keywords: NA; CI; confidence interval; IPD; invasive pneumococcal disease; NVT; non-vaccine serotype; NVT-IPD; non-vaccine serotype invasive pneumococcal disease; NVT-PM; non-vaccine serotype pneumococcal meningitis; PM; pneumococcal meningitis; PCV7; 7-valent pneumoco
Towards the elucidation of the regulatory network guiding the insulin producing cells' differentiation
Keywords: NA; NGN3 (NEUROG3); neurogenin3; ESCs; Embryonic Stem Cells; TFBS; Transcription Factor Binding Sites; TFs; Transcription Factors; AP4 (TFAP4); Activating enhancer-binding Protein 4 (Transcription Factor AP-4); WISP1; WNT-Induced Secreted Protein 1; CTGF; Con
Factors Associated with Pneumococcal Carriage in Healthy Dutch Infants: The Generation R Study
Keywords: NA; aOR; Adjusted odds ratio; CI; Confidence interval; NVT; Nonvaccine type; OR; Odds ratio; VT; Vaccine type;
A generalized Hamiltonian-based algorithm for rigorous equilibrium molecular dynamics simulation in the canonical ensemble
Keywords: NA; Molecular dynamics; NVT; Canonical ensemble; Hamiltonian; Nosé–Hoover thermostat