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Extension of the UNRES Coarse-Grained Force Field to Membrane Proteins in the Lipid Bilayer

The journal of physical chemistry. B, 2019-09, Vol.123 (37), p.7829-7839

2019

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A unified coarse-grained model of biological macromolecules based on mean-field multipole–multipole interactions

Journal of molecular modeling, 2014-08, Vol.20 (8), p.2306-2306, Article 2306

2014

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NMR and MD Analysis of the Bonding Interaction of Vancomycin with Muramyl Pentapeptide

International journal of molecular sciences, 2022-01, Vol.23 (3), p.1146

2022

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Improved Consensus-Fragment Selection in Template-Assisted Prediction of Protein Structures with the UNRES Force Field in CASP13

Journal of chemical information and modeling, 2020-03, Vol.60 (3), p.1844-1864

2020

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The Quaternization Reaction of 5- O -Sulfonates of Methyl 2,3- o -Isopropylidene- β -D-Ribofuranoside With Selected Heterocyclic and Aliphatic Amines

Molecules (Basel, Switzerland), 2020-05, Vol.25 (9), p.2161

2020

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Evaluation of the scale-consistent UNRES force field in template-free prediction of protein structures in the CASP13 experiment

Journal of molecular graphics & modelling, 2019-11, Vol.92 (C), p.154-166

2019

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Improvements and new functionalities of UNRES server for coarse-grained modeling of protein structure, dynamics, and interactions

Frontiers in molecular biosciences, 2022-12, Vol.9, p.1071428-1071428

2022

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Lessons from application of the UNRES force field to predictions of structures of CASP10 targets

Proceedings of the National Academy of Sciences - PNAS, 2013-09, Vol.110 (37), p.14936-14941

2013

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Modeling protein structures with the coarse-grained UNRES force field in the CASP14 experiment

Journal of molecular graphics & modelling, 2021-11, Vol.108, p.108008-108008, Article 108008

2021

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Molecular modeling of Gram-positive bacteria peptidoglycan layer, selected glycopeptide antibiotics and vancomycin derivatives modified with sugar moieties

Carbohydrate research, 2014-05, Vol.389, p.154-164

2014

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Influence of Carbohydrate Residues on Antibacterial Activity of Vancomycin

Letters in organic chemistry, 2020-01, Vol.17 (4), p.287-293

2020

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Molecular dynamics study on the influence of C-terminal sugar substitution on dynamics and conformation of vancomycin derivatives

Journal of carbohydrate chemistry, 2017-01, Vol.36 (1), p.45-58

2017

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Investigation of mechanism of desmopressin binding in vasopressin V2 receptor versus vasopressin V1a and oxytocin receptors: Molecular dynamics simulation of the agonist-bound state in the membrane-aqueous system

Biopolymers, 2006-04, Vol.81 (5), p.321-338

2006

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Performance of protein-structure predictions with the physics-based UNRES force field in CASP11

Bioinformatics (Oxford, England), 2016-11, Vol.32 (21), p.3270-3278

2016

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Solid phase synthesis of two muramyl pentapeptide derivatives

Journal of carbohydrate chemistry, 2016-03, Vol.35 (3), p.161-171

2016

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Conformational changes of peptidoglycan fragments during their interactions with vancomycin

Central European Journal of Chemistry, 2011-06, Vol.9 (3), p.422-431

2011

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Analysis of interactions responsible for vasopressin binding to human neurohypophyseal hormone receptors-molecular dynamics study of the activated receptor-vasopressin-Gα systems

Journal of peptide science, 2006-03, Vol.12 (3), p.180-189

2006

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Prediction of protein assemblies, the next frontier: The CASP14‐CAPRI experiment

Proteins, structure, function, and bioinformatics, 2021-12, Vol.89 (12), p.1800-1823

2021

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The Oxolane Ring Opening of Some Muramic Acid Derivatives Under Acidic Conditions

Letters in organic chemistry, 2018-01, Vol.15 (8), p.693-697

2018

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Interactions of vasopressin and oxytocin receptors with vasopressin analogues substituted in position 2 with 3,3′-diphenylalanine - a molecular docking study

Journal of peptide science, 2013-02, Vol.19 (2), p.118-126

2013

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Controlled engineering of Bi 4 O 5 Br 2 and BiOBr via interactions between imidazolium ionic liquids and medium during synthesis as a simple method for enhancement of photocatalytic activity

Catalysis science & technology, 2024-08, Vol.14 (17), p.4968-4985

2024

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Influence of bulky 3,3′-diphenylalanine enantiomers replacing position 2 of AVP analogues on their conformations: NMR and molecular modeling studies

European journal of medicinal chemistry, 2010-09, Vol.45 (9), p.4065-4073

2010

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Molecular Docking-Based Study of Vasopressin Analogues Modified at Positions 2 and 3 with N-Methylphenylalanine: Influence on Receptor-Bound Conformations and Interactions with Vasopressin and Oxytocin Receptors

Journal of medicinal chemistry, 2006-04, Vol.49 (8), p.2463-2469

2006

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Conformational stability of the full-atom hexameric model of the ClpB chaperone from Escherichia coli

Biopolymers, 2010-01, Vol.93 (1), p.47-60

2010

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Controlled engineering of Bi4O5Br2 and BiOBr via interactions between imidazolium ionic liquids and medium during synthesis as a simple method for enhancement of photocatalytic activity

Catalysis science & technology, 2024-08, Vol.14 (17), p.4968-4985

2024

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Extension of the UNRES Coarse-Grained Force Field to Membrane Proteins in the Lipid Bilayer

A unified coarse-grained model of biological macromolecules based on mean-field multipole–multipole interactions

NMR and MD Analysis of the Bonding Interaction of Vancomycin with Muramyl Pentapeptide

Improved Consensus-Fragment Selection in Template-Assisted Prediction of Protein Structures with the UNRES Force Field in CASP13

The Quaternization Reaction of 5- O -Sulfonates of Methyl 2,3- o -Isopropylidene- β -D-Ribofuranoside With Selected Heterocyclic and Aliphatic Amines

Evaluation of the scale-consistent UNRES force field in template-free prediction of protein structures in the CASP13 experiment

Improvements and new functionalities of UNRES server for coarse-grained modeling of protein structure, dynamics, and interactions

Lessons from application of the UNRES force field to predictions of structures of CASP10 targets

Modeling protein structures with the coarse-grained UNRES force field in the CASP14 experiment

Molecular modeling of Gram-positive bacteria peptidoglycan layer, selected glycopeptide antibiotics and vancomycin derivatives modified with sugar moieties

Influence of Carbohydrate Residues on Antibacterial Activity of Vancomycin

Molecular dynamics study on the influence of C-terminal sugar substitution on dynamics and conformation of vancomycin derivatives

Investigation of mechanism of desmopressin binding in vasopressin V2 receptor versus vasopressin V1a and oxytocin receptors: Molecular dynamics simulation of the agonist-bound state in the membrane-aqueous system

Performance of protein-structure predictions with the physics-based UNRES force field in CASP11

Solid phase synthesis of two muramyl pentapeptide derivatives

Conformational changes of peptidoglycan fragments during their interactions with vancomycin

Analysis of interactions responsible for vasopressin binding to human neurohypophyseal hormone receptors-molecular dynamics study of the activated receptor-vasopressin-Gα systems

Prediction of protein assemblies, the next frontier: The CASP14‐CAPRI experiment

The Oxolane Ring Opening of Some Muramic Acid Derivatives Under Acidic Conditions

Interactions of vasopressin and oxytocin receptors with vasopressin analogues substituted in position 2 with 3,3′-diphenylalanine - a molecular docking study

Controlled engineering of Bi 4 O 5 Br 2 and BiOBr via interactions between imidazolium ionic liquids and medium during synthesis as a simple method for enhancement of photocatalytic activity

Influence of bulky 3,3′-diphenylalanine enantiomers replacing position 2 of AVP analogues on their conformations: NMR and molecular modeling studies

Molecular Docking-Based Study of Vasopressin Analogues Modified at Positions 2 and 3 with N-Methylphenylalanine: Influence on Receptor-Bound Conformations and Interactions with Vasopressin and Oxytocin Receptors

Conformational stability of the full-atom hexameric model of the ClpB chaperone from Escherichia coli

Controlled engineering of Bi4O5Br2 and BiOBr via interactions between imidazolium ionic liquids and medium during synthesis as a simple method for enhancement of photocatalytic activity

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