Dmitry S Karlov

8PUBLICATIONS
10CO-AUTHORS
Biomolecular modelling and designGeospatial information systems and geospatial data modellingBioinformatic methods developmentBiologically active moleculesPharmacogenomics
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Publications (8)

|Sep 30, 2022
Intermolecular Interactions in G Protein-Coupled Receptor Allosteric Sites at the Membrane Interface from Molecular Dynamics Simulations and Quantum Chemical Calculations.

Tianyi Ding, Dmitry S Karlov, Almudena Pino-Angeles

|Aug 04, 2022
Biphenyl scaffold for the design of NMDA-receptor negative modulators: molecular modeling, synthesis, and biological activity.

Dmitry S Karlov, Nadezhda S Temnyakova, Dmitry A Vasilenko

|May 06, 2022
Chemical space exploration guided by deep neural networks.

Dmitry S Karlov, Sergey Sosnin, Igor V Tetko

|Nov 13, 2020
Baseline Model for Predicting Protein-Ligand Unbinding Kinetics through Machine Learning.

Nurlybek Amangeldiuly, Dmitry Karlov, Maxim V Fedorov

|Dec 06, 2019
Bivalent AMPA receptor positive allosteric modulators of the bis(pyrimidine) series.

Anna A Nazarova, Kseniya N Sedenkova, Dmitry S Karlov

|Sep 13, 2019
Computational characterization of the glutamate receptor antagonist perampanel and its close analogs: density functional exploration of conformational space and molecular docking study.

Abdul-Akim D Guseynov, Sergey A Pisarev, Dmitry A Shulga

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Frequent Collaborators

3 joint publications

Vladimir A Palyulin

2 joint publications

Sergey Sosnin

2 joint publications

Igor V Tetko

2 joint publications

Elena B Averina