Structure-based library design: molecular modelling merges with combinatorial chemistry

First Evidence of the Decay B^{+}→π^{+}e^{+}e^{-}.

Physical review letters·2026

Study of Nuclear Effects on Charm Production in Light-Ion Collisions.

Physical review letters·2026

CP Violation Analysis of Local and Nonlocal Amplitudes in the B[over ¯]^{0}→K[over ¯]^{*0}μ^{+}μ^{-} Decay.

Physical review letters·2026

Search for the Lepton-Flavor Violating Decays B^{+}→π^{+}μ^{±}e^{∓}.

Physical review letters·2026

Test of Lepton Flavor Universality with B^{0}→K^{*0}ℓ^{+}ℓ^{-} Decays at Large Dilepton Invariant Mass.

Physical review letters·2026

Evidence for the Rare Decay B^{+}→Λ[over ¯]pμ^{+}μ^{-}.

Physical review letters·2026

Metalloadaptor and metallochaperone proteins reveal new chemical principles of biological metal homeostasis.

Current opinion in chemical biology·2026

Advances in chemoenzymatic synthesis of glycosaminoglycans and proteoglycans.

Current opinion in chemical biology·2026

Design of programmable molecular interfaces for synthetic biology and therapeutic applications.

Current opinion in chemical biology·2026

Recent discovery of new enzymes in plant natural product biosynthesis.

Current opinion in chemical biology·2026

Macropa derivatives for radiopharmaceutical and rare-earth element separation.

Current opinion in chemical biology·2026

Small molecules for genetically encoded control and imaging of protein proximity.

Current opinion in chemical biology·2026

A Fast and Parallelized Procedure for Checking Molecular Dynamics 3D Structure.

Journal of computational chemistry·2026

Evaluating PBE-D3/M06 for copper-catalyzed carbon chemistry: Kinetic barriers and mechanistic insights.

The Journal of chemical physics·2026

Scaffold-shift uncertainty calibration in molecular activity prediction: A multi-target benchmark of coverage, efficiency, and risk-aware selection.

Computational biology and chemistry·2026

Two‑tier prediction framework with OR‑voting for real‑time freeway secondary-crash prediction: Balancing sensitivity and specificity.

Traffic injury prevention·2026

ResNet-assisted coarse-grained modeling of CH4-CO2 hydrates: Linking structural descriptors to interaction potentials.

The Journal of chemical physics·2026

Stochastic Resolution of Identity for Correlation Energy Prediction via Doubles Connected Moments Expansion.

Journal of chemical theory and computation·2026

Related Experiment Videos

Structure-based library design: molecular modelling merges with combinatorial chemistry

Related Concept Videos

First Evidence of the Decay B^{+}→π^{+}e^{+}e^{-}.

Study of Nuclear Effects on Charm Production in Light-Ion Collisions.

CP Violation Analysis of Local and Nonlocal Amplitudes in the B[over ¯]^{0}→K[over ¯]^{*0}μ^{+}μ^{-} Decay.

Search for the Lepton-Flavor Violating Decays B^{+}→π^{+}μ^{±}e^{∓}.

Test of Lepton Flavor Universality with B^{0}→K^{*0}ℓ^{+}ℓ^{-} Decays at Large Dilepton Invariant Mass.

Evidence for the Rare Decay B^{+}→Λ[over ¯]pμ^{+}μ^{-}.

Metalloadaptor and metallochaperone proteins reveal new chemical principles of biological metal homeostasis.

Advances in chemoenzymatic synthesis of glycosaminoglycans and proteoglycans.

Design of programmable molecular interfaces for synthetic biology and therapeutic applications.

Recent discovery of new enzymes in plant natural product biosynthesis.

Macropa derivatives for radiopharmaceutical and rare-earth element separation.

Small molecules for genetically encoded control and imaging of protein proximity.

A Fast and Parallelized Procedure for Checking Molecular Dynamics 3D Structure.

Evaluating PBE-D3/M06 for copper-catalyzed carbon chemistry: Kinetic barriers and mechanistic insights.

Scaffold-shift uncertainty calibration in molecular activity prediction: A multi-target benchmark of coverage, efficiency, and risk-aware selection.

Two‑tier prediction framework with OR‑voting for real‑time freeway secondary-crash prediction: Balancing sensitivity and specificity.

ResNet-assisted coarse-grained modeling of CH4-CO2 hydrates: Linking structural descriptors to interaction potentials.

Stochastic Resolution of Identity for Correlation Energy Prediction via Doubles Connected Moments Expansion.

Related Experiment Videos

Structure-based library design: molecular modelling merges with combinatorial chemistry

Abstract:

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