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Improvements, trends, and new ideas in molecular docking: 2012-2013 in review
Improvements, trends, and new ideas in molecular docking: 2012-2013 in review
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Improvements, trends, and new ideas in molecular docking: 2012-2013 in review

Yuriev, Elizabeth ; Holien, Jessica ; Ramsland, Paul A.

Journal of molecular recognition, 2015-10, Vol.28 (10), p.581-604 [Periódico revisado por pares]

England: Blackwell Publishing Ltd

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2
Is It Reliable to Use Common Molecular Docking Methods for Comparing the Binding Affinities of Enantiomer Pairs for Their Protein Target?
Is It Reliable to Use Common Molecular Docking Methods for Comparing the Binding Affinities of Enantiomer Pairs for Their Protein Target?
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Is It Reliable to Use Common Molecular Docking Methods for Comparing the Binding Affinities of Enantiomer Pairs for Their Protein Target?

Ramírez, David ; Caballero, Julio

International journal of molecular sciences, 2016-04, Vol.17 (4), p.525 [Periódico revisado por pares]

Switzerland: MDPI

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3
Characterization of the Interactions between Minocycline Hydrochloride and Trypsin with Spectroscopic and Molecular Docking Technology
Characterization of the Interactions between Minocycline Hydrochloride and Trypsin with Spectroscopic and Molecular Docking Technology
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Characterization of the Interactions between Minocycline Hydrochloride and Trypsin with Spectroscopic and Molecular Docking Technology

Wang, Xiaoxia ; Sun, Jisheng ; Ma, Litong ; Nie, Zhihua ; Sai, Huazheng ; Cheng, Jianguo ; Duan, Jianguo

Molecules (Basel, Switzerland), 2023-03, Vol.28 (6), p.2656 [Periódico revisado por pares]

Switzerland: MDPI AG

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4
Sense and simplicity in HADDOCK scoring: Lessons from CASP‐CAPRI round 1
Sense and simplicity in HADDOCK scoring: Lessons from CASP‐CAPRI round 1
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Sense and simplicity in HADDOCK scoring: Lessons from CASP‐CAPRI round 1

Vangone, A. ; Rodrigues, J. P. G. L. M. ; Xue, L. C. ; van Zundert, G. C. P. ; Geng, C. ; Kurkcuoglu, Z. ; Nellen, M. ; Narasimhan, S. ; Karaca, E. ; van Dijk, M. ; Melquiond, A. S. J. ; Visscher, K. M. ; Trellet, M. ; Kastritis, P. L. ; Bonvin, A. M. J. J.

Proteins, structure, function, and bioinformatics, 2017-03, Vol.85 (3), p.417-423 [Periódico revisado por pares]

United States: Wiley Subscription Services, Inc

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5
In silico structural characterization of Cytochrome c oxidase Subunit 1: A transmembrane protein from Aedes aegypti
In silico structural characterization of Cytochrome c oxidase Subunit 1: A transmembrane protein from Aedes aegypti
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In silico structural characterization of Cytochrome c oxidase Subunit 1: A transmembrane protein from Aedes aegypti

Josyula, Jhansi ; Mutheneni, Srinivasa

Journal of vector borne diseases, 2021-04, Vol.58 (2), p.106-114 [Periódico revisado por pares]

India: Wolters Kluwer - Medknow Publications

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6
Reliability analysis and optimization of the consensus docking approach for the development of virtual screening studies
Reliability analysis and optimization of the consensus docking approach for the development of virtual screening studies
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Reliability analysis and optimization of the consensus docking approach for the development of virtual screening studies

Poli, Giulio ; Martinelli, Adriano ; Tuccinardi, Tiziano

Journal of enzyme inhibition and medicinal chemistry, 2016-11, Vol.31 (sup2), p.167-173 [Periódico revisado por pares]

England: Taylor & Francis

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7
Dockground Tool for Development and Benchmarking of Protein Docking Procedures
Dockground Tool for Development and Benchmarking of Protein Docking Procedures
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Dockground Tool for Development and Benchmarking of Protein Docking Procedures

Kundrotas, Petras J. ; Kotthoff, Ian ; Choi, Sherman W. ; Copeland, Matthew M. ; Vakser, Ilya A.

Methods in molecular biology (Clifton, N.J.), 2020-01, Vol.2165, p.289-300

New York, NY: Springer US

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8
CGBVS‐DNN: Prediction of Compound‐protein Interactions Based on Deep Learning
CGBVS‐DNN: Prediction of Compound‐protein Interactions Based on Deep Learning
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CGBVS‐DNN: Prediction of Compound‐protein Interactions Based on Deep Learning

Hamanaka, Masatoshi ; Taneishi, Kei ; Iwata, Hiroaki ; Ye, Jun ; Pei, Jianguo ; Hou, Jinlong ; Okuno, Yasushi

Molecular informatics, 2017-01, Vol.36 (1-2), p.n/a [Periódico revisado por pares]

Germany: Wiley Subscription Services, Inc

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9
Identification of molecular descriptors for design of novel Isoalloxazine derivatives as potential Acetylcholinesterase inhibitors against Alzheimer's disease
Identification of molecular descriptors for design of novel Isoalloxazine derivatives as potential Acetylcholinesterase inhibitors against Alzheimer's disease
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Identification of molecular descriptors for design of novel Isoalloxazine derivatives as potential Acetylcholinesterase inhibitors against Alzheimer's disease

Gurung, Arun Bahadur ; Aguan, Kripamoy ; Mitra, Sivaprasad ; Bhattacharjee, Atanu

Journal of biomolecular structure & dynamics, 2017-06, Vol.35 (8), p.1729-1742 [Periódico revisado por pares]

England: Taylor & Francis

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10
Performance of Force-Field- and Machine Learning-Based Scoring Functions in Ranking MAO-B Protein-Inhibitor Complexes in Relevance to Developing Parkinson's Therapeutics
Performance of Force-Field- and Machine Learning-Based Scoring Functions in Ranking MAO-B Protein-Inhibitor Complexes in Relevance to Developing Parkinson's Therapeutics
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Performance of Force-Field- and Machine Learning-Based Scoring Functions in Ranking MAO-B Protein-Inhibitor Complexes in Relevance to Developing Parkinson's Therapeutics

Murugan, Natarajan Arul ; Muvva, Charuvaka ; Jeyarajpandian, Chitra ; Jeyakanthan, Jeyaraman ; Subramanian, Venkatesan

International journal of molecular sciences, 2020-10, Vol.21 (20), p.7648 [Periódico revisado por pares]

Switzerland: MDPI AG

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