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Nuno M. F. S. A. Cerqueira

Universidade do Porto

H指数:33

被引数:3,783

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Montelukast and cefoperazone act as antiquorum sensing and antibiofilm agents against Pseudomonas aeruginosa

孟鲁司特和头孢哌酮可作为抗铜绿假单胞菌的反群感应和抗生物膜剂

JOURNAL OF APPLIED MICROBIOLOGY

IF3.2

2024-04-080

PRE

In silico identification of novel PqsD inhibitors: promising molecules for quorum sensing interference in Pseudomonas aeruginosa

MOLECULAR SYSTEMS DESIGN & ENGINEERING

IF3.2

2024-01-012

PRE

A Molecular Mechanics Energy Partitioning Software for Biomolecular Systems

用于生物分子系统的分子力学能量分配软件

IF4.6

2022-08-270

OAAI

Computational Studies Devoted to the Catalytic Mechanism of Threonine Aldolase, a Critical Enzyme in the Pharmaceutical Industry to Synthesize ?-Hydroxy-?-amino Acids

IF13.1

2022-04-1312

PRE

Targeting Pseudomonas aeruginosa MvfR in the battle against biofilm formation: a multi-level computational approach

MOLECULAR SYSTEMS DESIGN & ENGINEERING

IF3.2

2022-01-013

PRE

Multifunctional Enzymes as Targets for the Treatment of Tuberculosis: Paving the Way for New Anti-TB Drugs

CURRENT MEDICINAL CHEMISTRY

IF3.5

2021-09-098

PRE

New insights into the catalytic mechanism of the SARS-CoV-2 main protease: an ONIOM QM/MM approach

MOLECULAR DIVERSITY

IF3.8

2021-06-2427

OAAI

The complete catalytic mechanism of xanthine oxidase: a computational study

INORGANIC CHEMISTRY FRONTIERS

IF6.4

2021-01-0120

PREAI

An Atomic-Level Perspective of HMG-CoA-Reductase: The Target Enzyme to Treat Hypercholesterolemia

IF4.6

2020-08-2640

OAAI

Alkaline phosphatase dual-binding sites for collagen dictate cell migration and microvessel assembly in vitro

JOURNAL OF CELLULAR BIOCHEMISTRY

IF2.8

2020-08-037

PREAI

Catalytic Mechanism of Human Aldehyde Oxidase

人醛氧化酶的催化机理

IF13.1

2020-07-2221

PREAI

Solving the Catalytic Mechanism of Tryptophan Synthase: an Emergent Drug Target in the Treatment of Tuberculosis

IF3.9

2019-10-2214

PREAI

VMD Store-A VMD Plugin to Browse, Discover, and Install VMD Extensions

JOURNAL OF CHEMICAL INFORMATION AND MODELING

IF5.3

2019-10-2158

PREAI

Formation of Unstable and very Reactive Chemical Species Catalyzed by Metalloenzymes: A Mechanistic Overview

IF4.6

2019-07-0416

OAAI

PLP-dependent enzymes as important biocatalysts for the pharmaceutical, chemical and food industries: a structural and mechanistic perspective

CATALYSIS SCIENCE & TECHNOLOGY

IF4.2

2019-01-0185

PREAI

Catalytic Mechanism of the Serine Hydroxymethyltransferase: A Computational ONIOM QM/MM Study

丝氨酸羟甲基转移酶的催化机理: 计算ONIOM QM/MM研究

IF13.1

2018-09-1839

PREAI

Small phospho-donors phosphorylate MorR without inducing protein conformational changes

BIOPHYSICAL CHEMISTRY

IF2.2

2018-09-011

PREAI

Total Stereoselective Michael Addition of N- and S- Nucleophiles to a D-Erythrosyl 1,5-Lactone Derivative. Experimental and Theoretical Studies Devoted to the Synthesis of 2,6-Dideoxy-4-functionalized-D-ribono-hexono-1,4-lactone

JOURNAL OF ORGANIC CHEMISTRY

IF3.6

2018-06-203

PREAI

Parametrization of Molybdenum Cofactors for the AMBER Force Field

琥珀力场的钼辅助因子的参数化

JOURNAL OF CHEMICAL THEORY AND COMPUTATION

IF5.5

2018-04-0911

PREAI

molUP: A VMD plugin to handle QM and ONIOM calculations using the gaussian software

JOURNAL OF COMPUTATIONAL CHEMISTRY

IF4.8

2018-02-2141

PREAI