Original Research
Published on 08 Jun 2022
Investigating Intrinsically Disordered Proteins With Brownian Dynamics
in Molecular Recognition
Frontiers in Molecular Biosciences
doi 10.3389/fmolb.2022.898838
- 2,020 views
- 3 citations
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217 articles
Articles
Review
Published on 08 Jun 2022
Enhanced-Sampling Simulations for the Estimation of Ligand Binding Kinetics: Current Status and Perspective
in Molecular Recognition
Frontiers in Molecular Biosciences
doi 10.3389/fmolb.2022.899805
- 7,807 views
- 39 citations
Original Research
Published on 01 Jun 2022
Novel Allosteric Mechanism of Dual p53/MDM2 and p53/MDM4 Inhibition by a Small Molecule
in Molecular Recognition
Frontiers in Molecular Biosciences
doi 10.3389/fmolb.2022.823195
- 4,470 views
- 6 citations
Original Research
Published on 30 May 2022
Uncovering the Mechanism of Drug Resistance Caused by the T790M Mutation in EGFR Kinase From Absolute Binding Free Energy Calculations
in Molecular Recognition
Frontiers in Molecular Biosciences
doi 10.3389/fmolb.2022.922839
- 2,368 views
- 4 citations
Original Research
Published on 30 May 2022
A Species-Specific Strategy for the Identification of Hemocoagulase Agkistrodon halys pallas Based on LC-MS/MS-MRM
in Molecular Recognition
Frontiers in Molecular Biosciences
doi 10.3389/fmolb.2022.831293
- 2,272 views
- 3 citations
Original Research
Published on 23 May 2022
Rational Design of P450 aMOx for Improving Anti-Markovnikov Selectivity Based on the “Butterfly” Model
in Molecular Recognition
Frontiers in Molecular Biosciences
doi 10.3389/fmolb.2022.888721
- 1,929 views
- 3 citations
Original Research
Published on 18 May 2022
CARs-DB: A Database of Cryptic Amyloidogenic Regions in Intrinsically Disordered Proteins
in Molecular Recognition
Frontiers in Molecular Biosciences
doi 10.3389/fmolb.2022.882160
- 3,123 views
- 6 citations
Original Research
Published on 10 May 2022
Understanding the P-Loop Conformation in the Determination of Inhibitor Selectivity Toward the Hepatocellular Carcinoma-Associated Dark Kinase STK17B
in Molecular Recognition
Frontiers in Molecular Biosciences
doi 10.3389/fmolb.2022.901603
- 3,857 views
- 6 citations
Original Research
Published on 05 May 2022
Unexpected Dynamic Binding May Rescue the Binding Affinity of Rivaroxaban in a Mutant of Coagulation Factor X
in Molecular Recognition
Frontiers in Molecular Biosciences
doi 10.3389/fmolb.2022.877170
- 2,123 views
Original Research
Published on 05 May 2022
Identification and Validation of Prognostic Biomarkers Specifically Expressed in Macrophage in IgA Nephropathy Patients Based on Integrated Bioinformatics Analyses
in Molecular Recognition
Frontiers in Molecular Biosciences
doi 10.3389/fmolb.2022.884588
- 5,157 views
- 6 citations
Brief Research Report
Published on 02 May 2022
Free Energy Profiles Relating With Conformational Transition of the Switch Domains Induced by G12 Mutations in GTP-Bound KRAS
in Molecular Recognition
Frontiers in Molecular Biosciences
doi 10.3389/fmolb.2022.912518
- 2,181 views
- 21 citations
Original Research
Published on 29 Apr 2022
Practical Protocols for Efficient Sampling of Kinase-Inhibitor Binding Pathways Using Two-Dimensional Replica-Exchange Molecular Dynamics
in Molecular Recognition
Frontiers in Molecular Biosciences
doi 10.3389/fmolb.2022.878830
- 3,768 views
- 4 citations
Original Research
Published on 26 Apr 2022
Local Ion Densities can Influence Transition Paths of Molecular Binding
in Molecular Recognition
Frontiers in Molecular Biosciences
doi 10.3389/fmolb.2022.858316
- 1,415 views
- 3 citations
Review
Published on 26 Apr 2022
Peroxisome Proliferator–Activated Receptor-α: A Pivotal Regulator of the Gastrointestinal Tract
in Molecular Recognition
Frontiers in Molecular Biosciences
doi 10.3389/fmolb.2022.864039
- 2,951 views
- 5 citations
Original Research
Published on 26 Apr 2022
A Computational Model for the PLP-Dependent Enzyme Methionine γ-Lyase
in Molecular Recognition
Frontiers in Molecular Biosciences
doi 10.3389/fmolb.2022.886358
- 2,543 views
- 1 citation
Editorial
Published on 26 Apr 2022
Editorial: Prokaryotic Communications, Volume II: From Macromolecular Interdomain to Intercellular Talks (Recognition) and Beyond
in Molecular Recognition
Frontiers in Molecular Biosciences
doi 10.3389/fmolb.2022.910673
- 1,105 views