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Publications information icon

Protein-Protein Docking in Drug Design and Discovery

Peer-reviewed
DOI
10.1007/978-1-4939-7756-7_15
Kaczor, AA; Bartuzi, D; Stepniewski, TM; Matosiuk, D; Selent, J
Methods in molecular biology2018Publications information icon

Ligand-Enhanced Negative Images Optimized for Docking Rescoring

Peer-reviewed
Open access
DOI
10.3390/ijms23147871
Kurkinen Sami T, Lehtonen Jukka V, Pentikäinen Olli T, Postila Pekka A
International journal of molecular sciences2022Publications information icon

Inverse Conformational Selection in Lipid–Protein Binding

Peer-reviewed
Open access
DOI
10.1021/jacs.1c05549
Bacle, Amélie; Buslaev, Pavel; Garcia-Fandino, Rebeca; Favela-Rosales, Fernando; Mendes, Ferreira Ti...
Journal of the American Chemical Society2021Publications information icon

Multi-Component Protein - Protein Docking Based Protocol with External Scoring for Modeling Dimers of G Protein-Coupled Receptors

Peer-reviewed
DOI
10.1002/minf.201400088
Kaczor Agnieszka A, Guixà-González Ramon, Carrió Pau, Poso Antti, Dove Stefan, Pastor Manuel, Selent...
Molecular Informatics2015Publications information icon

Recent Advances and Applications of Molecular Docking to G Protein-Coupled Receptors

Peer-reviewed
Open access
DOI
10.3390/molecules22020340
Bartuzi D, Kaczor AA, Targowska-Duda KM, Matosiuk D
MOLECULES2017Publications information icon

Combined quantum-mechanics/molecular-mechanics, molecular docking studies on hemorrhoid drug

Peer-reviewed
Open access
DOI
10.1016/j.rechem.2023.100962
Maheswari, C. Uma; Muthu, S.; Sundius, Tom
Results in chemistry2023Publications information icon

Molecular docking study of bioactive phytochemicals against infectious diseases

Peer-reviewed
DOI
10.1016/B978-0-443-19143-5.00011-6
Sanjeev Kumar Sahu; Thatikayala Mahender; Iqubal Singh; Pankaj Wadhwa; Paranjeet Kaur; Kuldeep Bansa...
Recent Frontiers of Phytochemicals2023Publications information icon

Identification of natural peptides from "PlantPepDB" database as anti-SARS-CoV-2 agents: A protein-protein docking approach

Peer-reviewed
Open access
DOI
10.1016/j.phyplu.2023.100446
Bhandu Priyanka, Verma Himanshu, Raju Baddipadige, Narendra Gera, Choudhary Shalki, Singh Manmeet, S...
Phytomedicine plus : international journal of phytotherapy and phytopharmacology2023Publications information icon

Application of molecular docking simulation to screening of metal–organic frameworks

Peer-reviewed
Open access
DOI
10.1016/j.commatsci.2023.112257
Keshavarz Fatemeh; Barbiellini Bernardo
Elsevier2023Publications information icon

Solving the Inverse Problem in Magnetocardiography

Peer-reviewed
DOI
10.1109/51.310989
Nenonen, J.
IEEE Engineering in Medicine and Biology Magazine1994

Protein-Protein Docking in Drug Design and Discovery

Peer-reviewed
DOI
10.1007/978-1-4939-7756-7_15
2018

Ligand-Enhanced Negative Images Optimized for Docking Rescoring

Peer-reviewed
Open access
DOI
10.3390/ijms23147871
2022

Inverse Conformational Selection in Lipid–Protein Binding

Peer-reviewed
Open access
DOI
10.1021/jacs.1c05549
2021

Multi-Component Protein - Protein Docking Based Protocol with External Scoring for Modeling Dimers of G Protein-Coupled Receptors

Peer-reviewed
DOI
10.1002/minf.201400088
2015

Recent Advances and Applications of Molecular Docking to G Protein-Coupled Receptors

Peer-reviewed
Open access
DOI
10.3390/molecules22020340
2017

Combined quantum-mechanics/molecular-mechanics, molecular docking studies on hemorrhoid drug

Peer-reviewed
Open access
DOI
10.1016/j.rechem.2023.100962
2023

Molecular docking study of bioactive phytochemicals against infectious diseases

Peer-reviewed
DOI
10.1016/B978-0-443-19143-5.00011-6
2023

Identification of natural peptides from "PlantPepDB" database as anti-SARS-CoV-2 agents: A protein-protein docking approach

Peer-reviewed
Open access
DOI
10.1016/j.phyplu.2023.100446
2023

Application of molecular docking simulation to screening of metal–organic frameworks

Peer-reviewed
Open access
DOI
10.1016/j.commatsci.2023.112257
2023

Solving the Inverse Problem in Magnetocardiography

Peer-reviewed
DOI
10.1109/51.310989
1994