Chemistry (Page 1)

A comprehensive set of sequence analysis programs for the VAX

AutoDock Vina: Improving the speed and accuracy of docking with a new scoring function, efficient optimization, and multithreading

Self-consistent molecular orbital methods. XX. A basis set for correlated wave functions

[57] Sequencing end-labeled DNA with base-specific chemical cleavages

C60: Buckminsterfullerene

Primer-Directed Enzymatic Amplification of DNA with a Thermostable DNA Polymerase

Another look at the instrumental variable estimation of error-components models

Hierarchical Grouping to Optimize an Objective Function

Rapid determination of free proline for water-stress studies

BLEU

<scp>CHARMM</scp>: A program for macromolecular energy, minimization, and dynamics calculations

Polymorphic transitions in single crystals: A new molecular dynamics method

Materials for electrochemical capacitors

Assessment of Older People: Self-Maintaining and Instrumental Activities of Daily Living

<i>Ab initio</i> effective core potentials for molecular calculations. Potentials for K to Au including the outermost core orbitals

Chemical and isotopic systematics of oceanic basalts: implications for mantle composition and processes

A study of the conditions and mechanism of the diphenylamine reaction for the colorimetric estimation of deoxyribonucleic acid

A new mixing of Hartree–Fock and local density-functional theories

Learning Phrase Representations using RNN Encoder–Decoder for Statistical Machine Translation

Use of avidin-biotin-peroxidase complex (ABC) in immunoperoxidase techniques: a comparison between ABC and unlabeled antibody (PAP) procedures.

Hybrid functionals based on a screened Coulomb potential

The influence of polarization functions on molecular orbital hydrogenation energies

Dictionary of protein secondary structure: Pattern recognition of hydrogen‐bonded and geometrical features

GROMACS 4: Algorithms for Highly Efficient, Load-Balanced, and Scalable Molecular Simulation

Potent and specific genetic interference by double-stranded RNA in Caenorhabditis elegans

Operating Characteristics of a Rank Correlation Test for Publication Bias

Development and testing of a general amber force field

Refinement of Macromolecular Structures by the Maximum-Likelihood Method

Governing the Commons

Self—Consistent Molecular Orbital Methods. XII. Further Extensions of Gaussian—Type Basis Sets for Use in Molecular Orbital Studies of Organic Molecules

Electronics and optoelectronics of two-dimensional transition metal dichalcogenides

Electron affinities of the first-row atoms revisited. Systematic basis sets and wave functions

Pseudo-second order model for sorption processes

The PRISMA statement for reporting systematic reviews and meta-analyses of studies that evaluate healthcare interventions: explanation and elaboration

GROMACS: Fast, flexible, and free

A Simple, Positive Semi-Definite, Heteroskedasticity and Autocorrelation Consistent Covariance Matrix

Organic electroluminescent diodes

The diagnosis of dementia due to Alzheimer's disease: Recommendations from the National Institute on Aging‐Alzheimer's Association workgroups on diagnostic guidelines for Alzheimer's disease

All-Atom Empirical Potential for Molecular Modeling and Dynamics Studies of Proteins

Controlled growth of monodisperse silica spheres in the micron size range

Improved Survival with Ipilimumab in Patients with Metastatic Melanoma

Unpaired Image-to-Image Translation Using Cycle-Consistent Adversarial Networks

Possible highT c superconductivity in the Ba?La?Cu?O system

Intuitionistic fuzzy sets

Atomically Thin<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:msub><mml:mi>MoS</mml:mi><mml:mn>2</mml:mn></mml:msub></mml:math>: A New Direct-Gap Semiconductor

EuroQol - a new facility for the measurement of health-related quality of life

Synthesis of graphene-based nanosheets via chemical reduction of exfoliated graphite oxide

Improved methods for building protein models in electron density maps and the location of errors in these models

A low-viscosity epoxy resin embedding medium for electron microscopy

Phosphorus Assay in Column Chromatography

Interpretation of Raman spectra of disordered and amorphous carbon

[14] Analysis of total phenols and other oxidation substrates and antioxidants by means of folin-ciocalteu reagent

<i>Ab initio</i> effective core potentials for molecular calculations. Potentials for the transition metal atoms Sc to Hg

Calcium's Role in Mechanotransduction during Muscle Development

<i>MolProbity</i>: all-atom structure validation for macromolecular crystallography

Image-to-Image Translation with Conditional Adversarial Networks

A Second Generation Force Field for the Simulation of Proteins, Nucleic Acids, and Organic Molecules

Relationship between the inhibition constant (KI) and the concentration of inhibitor which causes 50 per cent inhibition (I50) of an enzymatic reaction

MaxQuant enables high peptide identification rates, individualized p.p.b.-range mass accuracies and proteome-wide protein quantification

Cooperative Diversity in Wireless Networks: Efficient Protocols and Outage Behavior

Observational Study of Behavior: Sampling Methods

Labeling deoxyribonucleic acid to high specific activity in vitro by nick translation with DNA polymerase I

LINCS: A linear constraint solver for molecular simulations

Lifetime and 12-Month Prevalence of DSM-III-R Psychiatric Disorders in the United States

Comparative Protein Modelling by Satisfaction of Spatial Restraints

Development and Testing of the OPLS All-Atom Force Field on Conformational Energetics and Properties of Organic Liquids

The Chemistry and Applications of Metal-Organic Frameworks

How Many Interviews Are Enough?

Superoxide Dismutase

Rapid object detection using a boosted cascade of simple features

Non‐parametric multivariate analyses of changes in community structure

Free radicals and antioxidants in normal physiological functions and human disease

Canonical sampling through velocity rescaling

Knowledge of the Firm, Combinative Capabilities, and the Replication of Technology

Visible-Light Photocatalysis in Nitrogen-Doped Titanium Oxides

Universal Solvation Model Based on Solute Electron Density and on a Continuum Model of the Solvent Defined by the Bulk Dielectric Constant and Atomic Surface Tensions

The obligatory role of endothelial cells in the relaxation of arterial smooth muscle by acetylcholine

Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings 1PII of original article: S0169-409X(96)00423-1. The article was originally published in Advanced Drug Delivery Reviews 23 (1997) 3–25. 1

AFLP: a new technique for DNA fingerprinting

Physisorption of gases, with special reference to the evaluation of surface area and pore size distribution (IUPAC Technical Report)

Wettability of porous surfaces

Click Chemistry: Diverse Chemical Function from a Few Good Reactions

On the Origin of Cancer Cells

The Determination of Pore Volume and Area Distributions in Porous Substances. I. Computations from Nitrogen Isotherms

Molecular Structure of Nucleic Acids: A Structure for Deoxyribose Nucleic Acid

Tricine-sodium dodecyl sulfate-polyacrylamide gel electrophoresis for the separation of proteins in the range from 1 to 100 kDa

Speeded-Up Robust Features (SURF)

The Determination of Enzyme Dissociation Constants

A procedure for the isolation of deoxyribonucleic acid from micro-organisms

A new hybrid exchange–correlation functional using the Coulomb-attenuating method (CAM-B3LYP)

Room-Temperature Ionic Liquids. Solvents for Synthesis and Catalysis

The composition of the Earth

Light-emitting diodes based on conjugated polymers

Triblock Copolymer Syntheses of Mesoporous Silica with Periodic 50 to 300 Angstrom Pores

Analysis of nitrate, nitrite, and [15N]nitrate in biological fluids

The Carbon Monoxide-binding Pigment of Liver Microsomes

A synaptic model of memory: long-term potentiation in the hippocampus

Gold Nanoparticles: Assembly, Supramolecular Chemistry, Quantum-Size-Related Properties, and Applications toward Biology, Catalysis, and Nanotechnology

Detailed Balance Limit of Efficiency of <i>p-n</i> Junction Solar Cells

Development of the Alcohol Use Disorders Identification Test (AUDIT): WHO Collaborative Project on Early Detection of Persons with Harmful Alcohol Consumption-II