Maksym Druchok - Publications, H-index & Citations

Maksym Druchok

softserve, inc.

13H指数

43论文数

367被引数

收录论文 21

发表时间

When Trees Guide Molecules: Multiobjective Search in de Novo Drug Design 当树木引导分子：从头药物设计中的多目标搜索

Journal of Chemical Information and Modeling

IF5.3

2026-05-26

PREAI

Maksym Druchok; Andrij Rovenchak

Cancer Immunotherapies Ignited by a Thorough Machine Learning-Based Selection of Neoantigens

ADVANCED BIOLOGY

IF2.6

2024-07-06

PREAI

Jurczak, Sebastian; Druchok, Maksym

Machine learning-assisted search for novel coagulants: When machine learning can be efficient even if data availability is low

JOURNAL OF COMPUTATIONAL CHEMISTRY

IF4.8

2024-01-04

OAAI

Rovenchak, Andrij; Druchok, Maksym

One-dimensionally confined ammonia molecules: A theoretical study

JOURNAL OF MOLECULAR LIQUIDS

IF5.2

2023-10-01

OAAI

Druchok, Maksy; Krasnov, Volodymyr; Krokhmalskii, Taras; Derzhko, Oleg

Toward a quasiphase transition in the single-file chain of water molecules: Simple lattice model

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2023-03-09

OAAI

Druchok, Maksym; Krasnov, Volodymyr; Krokhmalskii, Taras; Cardoso e Bufalo, Tatiana; Martins de Souza, Sergio; Rojas, Onofre; Derzhko, Oleg

Machine learning assessment of the binding region as a tool for more efficient computational receptor-ligand docking

JOURNAL OF MOLECULAR LIQUIDS

IF5.2

2022-05-01

OAAI

Simoncic, Matjaz; Luksic, Miha; Druchok, Maksym

Complex machine learning model needs complex testing: Examining predictability of molecular binding affinity by a graph neural network

JOURNAL OF COMPUTATIONAL CHEMISTRY

IF4.8

2022-02-24

PREAI

Nikolaienko, Tymofii; Gurbych, Oleksandr; Druchok, Maksym

Toward efficient generation, correction, and properties control of unique drug-like structures

JOURNAL OF COMPUTATIONAL CHEMISTRY

IF4.8

2021-02-14

OAAI

Druchok, Maksym; Yarish, Dzvenymyra; Gurbych, Oleksandr; Maksymenko, Mykola

Carboxylated carbon nanotubes can serve as pathways for molecules in sandwich-like two-phase organic-water systems

JOURNAL OF MOLECULAR LIQUIDS

IF5.2

2019-10-01

PREAI

Druchok, Maksym; Luksic, Miha

Carboxylated carbon nanotubes corked with tetraalkylammonium cations: A concept of nanocarriers in aqueous solutions

JOURNAL OF MOLECULAR LIQUIDS

IF5.2

2018-11-01

OAAI

Druchok, M.; Luksic, M.

Carbon nanotubes as adsorbents for uranyl ions from aqueous solutions: A molecular dynamics study 碳纳米管作为水溶液中铀酰离子的吸附剂: 分子动力学研究

JOURNAL OF MOLECULAR LIQUIDS

IF5.2

2017-02-01

PREAI

Druchok, M.; Holovko, M.

Structural changes in water exposed to electric fields: A molecular dynamics study

JOURNAL OF MOLECULAR LIQUIDS

IF5.2

2015-12-01

PREAI

Druchok, M.; Holovko, M.

The effect of an electric field on the association of uranyl in aqueous solutions

JOURNAL OF MOLECULAR LIQUIDS

IF5.2

2015-05-01

PREAI

Druchok, M.; Holovko, M.

Explicit water molecular dynamics study of the mobility of halide ions in presence of ionene oligocations

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2012-07-05

PREAI

Druchok, Maksym; Luksic, Miha; Vlachy, Vojko

Molecular dynamics study of ion hydration under pressure

JOURNAL OF MOLECULAR LIQUIDS

IF5.2

2011-02-01

PREAI

Druchok, M.; Holovko, M.

A molecular dynamics study of the hydrated-hydrolyzed structure of multivalent cations based on the model of primitive cation

JOURNAL OF MOLECULAR LIQUIDS

IF5.2

2007-03-01

OAAI

Holovko, M.; Druchok, M.; Bryk, T.

Analysis of osmotic pressure data for aqueous protein solutions via a multicomponent model

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2006-03-17

OAAI

Druchok, M; Kalyuzhnyi, Y; Rescic, J; Vlachy, V

Primitive model for cation hydrolysis: A molecular-dynamics study

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2005-10-20

PREAI

Holovko, M; Druchok, M; Bryk, T

A molecular dynamics modelling of cation hydrolysis effects

JOURNAL OF ELECTROANALYTICAL CHEMISTRY

IF4.1

2005-08-01

PREAI

Holovko, M; Druchok, M; Bryk, T

A molecular dynamics study of uranyl hydration 铀酰水合的分子动力学研究

JOURNAL OF MOLECULAR LIQUIDS

IF5.2

2005-06-01

PREAI

Druchok, M; Bryk, T; Holovko, M

研究方向