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Drugsniffer: An Open Source Workflow for Virtually Screening Billions of Molecules for Binding Affinity to Protein Targets
Drugsniffer: An Open Source Workflow for Virtually Screening Billions of Molecules for Binding Affinity to Protein Targets
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Drugsniffer: An Open Source Workflow for Virtually Screening Billions of Molecules for Binding Affinity to Protein Targets

Venkatraman, Vishwesh ; Colligan, Thomas H ; Lesica, George T ; Olson, Daniel R ; Gaiser, Jeremiah ; Copeland, Conner J ; Wheeler, Travis J ; Roy, Amitava

Frontiers in pharmacology, 2022-04, Vol.13, p.874746-874746 [Periódico revisado por pares]

Switzerland: Frontiers Research Foundation

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2
Editorial: Chemoinformatics Approaches to Structure- and Ligand-Based Drug Design, Volume II
Editorial: Chemoinformatics Approaches to Structure- and Ligand-Based Drug Design, Volume II
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Editorial: Chemoinformatics Approaches to Structure- and Ligand-Based Drug Design, Volume II

Ferreira, Leonardo L. G. ; Andricopulo, Adriano D.

Frontiers in pharmacology, 2022-06, Vol.13, p.945747-945747 [Periódico revisado por pares]

Frontiers Media S.A

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3
Empirical Scoring Functions for Structure-Based Virtual Screening: Applications, Critical Aspects, and Challenges
Empirical Scoring Functions for Structure-Based Virtual Screening: Applications, Critical Aspects, and Challenges
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Empirical Scoring Functions for Structure-Based Virtual Screening: Applications, Critical Aspects, and Challenges

Guedes, Isabella A ; Pereira, Felipe S S ; Dardenne, Laurent E

Frontiers in pharmacology, 2018-09, Vol.9, p.1089-1089 [Periódico revisado por pares]

Switzerland: Frontiers Research Foundation

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4
From Data to Knowledge: Systematic Review of Tools for Automatic Analysis of Molecular Dynamics Output
From Data to Knowledge: Systematic Review of Tools for Automatic Analysis of Molecular Dynamics Output
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From Data to Knowledge: Systematic Review of Tools for Automatic Analysis of Molecular Dynamics Output

Baltrukevich, Hanna ; Podlewska, Sabina

Frontiers in pharmacology, 2022-03, Vol.13, p.844293-844293 [Periódico revisado por pares]

Switzerland: Frontiers Media S.A

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5
Machine Learning in Antibacterial Drug Design
Machine Learning in Antibacterial Drug Design
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Machine Learning in Antibacterial Drug Design

Jukič, Marko ; Bren, Urban

Frontiers in pharmacology, 2022-05, Vol.13, p.864412-864412 [Periódico revisado por pares]

Switzerland: Frontiers Media S.A

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6
On the Integration of In Silico Drug Design Methods for Drug Repurposing
On the Integration of In Silico Drug Design Methods for Drug Repurposing
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On the Integration of In Silico Drug Design Methods for Drug Repurposing

March-Vila, Eric ; Pinzi, Luca ; Sturm, Noé ; Tinivella, Annachiara ; Engkvist, Ola ; Chen, Hongming ; Rastelli, Giulio

Frontiers in pharmacology, 2017-05, Vol.8, p.298-298 [Periódico revisado por pares]

Switzerland: Frontiers Media S.A

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7
Pocket2Drug: An Encoder-Decoder Deep Neural Network for the Target-Based Drug Design
Pocket2Drug: An Encoder-Decoder Deep Neural Network for the Target-Based Drug Design
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Pocket2Drug: An Encoder-Decoder Deep Neural Network for the Target-Based Drug Design

Shi, Wentao ; Singha, Manali ; Srivastava, Gopal ; Pu, Limeng ; Ramanujam, J ; Brylinski, Michal

Frontiers in pharmacology, 2022-03, Vol.13, p.837715-837715 [Periódico revisado por pares]

Switzerland: Frontiers Media S.A

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8
Probabilistic Pocket Druggability Prediction via One-Class Learning
Probabilistic Pocket Druggability Prediction via One-Class Learning
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Probabilistic Pocket Druggability Prediction via One-Class Learning

Aguti, Riccardo ; Gardini, Erika ; Bertazzo, Martina ; Decherchi, Sergio ; Cavalli, Andrea

Frontiers in pharmacology, 2022-06, Vol.13, p.870479-870479 [Periódico revisado por pares]

Frontiers Media S.A

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9
QSAR-Based Virtual Screening: Advances and Applications in Drug Discovery
QSAR-Based Virtual Screening: Advances and Applications in Drug Discovery
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QSAR-Based Virtual Screening: Advances and Applications in Drug Discovery

Neves, Bruno J ; Braga, Rodolpho C ; Melo-Filho, Cleber C ; Moreira-Filho, José Teófilo ; Muratov, Eugene N ; Andrade, Carolina Horta

Frontiers in pharmacology, 2018-11, Vol.9, p.1275-1275 [Periódico revisado por pares]

Switzerland: Frontiers Research Foundation

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10
Simulation and Machine Learning Methods for Ion-Channel Structure Determination, Mechanistic Studies and Drug Design
Simulation and Machine Learning Methods for Ion-Channel Structure Determination, Mechanistic Studies and Drug Design
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Simulation and Machine Learning Methods for Ion-Channel Structure Determination, Mechanistic Studies and Drug Design

Zhu, Zhengdan ; Deng, Zhenfeng ; Wang, Qinrui ; Wang, Yuhang ; Zhang, Duo ; Xu, Ruihan ; Guo, Lvjun ; Wen, Han

Frontiers in pharmacology, 2022-06, Vol.13, p.939555-939555 [Periódico revisado por pares]

Frontiers Media S.A

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