Search results for "inhibitor"

Hits ?▲	Authors	Title	Venue	Year	Link
17	Feng Ren, Xiao Ding, Min Zheng, Mikhail Korzinkin, Xin Cai, Wei Zhu, Alexey Mantsyzov, Alex Aliper, Vladimir Aladinskiy, Zhongying Cao, Shanshan Kong, Xi Long, Bonnie Hei Man Liu, Yingtao Liu, Vladimir Naumov, Anastasia Shneyderman, Ivan V. Ozerov, Ju Wang, Frank W. Pun, Alán Aspuru-Guzik, Michael Levitt, Alex Zhavoronkov	AlphaFold Accelerates Artificial Intelligence Powered Drug Discovery: Efficient Discovery of a Novel Cyclin-dependent Kinase 20 (CDK20) Small Molecule Inhibitor.	CoRR	2022	DBLP BibTeX RDF
17	Vijil Chenthamarakshan, Samuel C. Hoffman, C. David Owen, Petra Lukacik, Claire Strain-Damerell, Daren Fearon, Tika R. Malla, Anthony Tumber, Christopher J. Schofield, Helen M. E. Duyvesteyn, Wanwisa Dejnirattisai, Loic Carrique, Thomas S. Walter, Gavin R. Screaton, Tetiana Matviiuk, Aleksandra Mojsilovic, Jason Crain, Martin A. Walsh, David I. Stuart, Payel Das	Accelerating Inhibitor Discovery for Multiple SARS-CoV-2 Targets with a Single, Sequence-Guided Deep Generative Framework.	CoRR	2022	DBLP DOI BibTeX RDF
17	Ysaias José Alvarado, Yosmari Olivarez, Carla Lossada, Joan Vera-Villalobos, José Luis Paz, Eddy Vera, Marcos Loroño, Alejandro Vivas, Fernando Javier Torres, Laura N. Jeffreys, María Laura Hurtado-León, Lenin González-Paz	Interaction of the new inhibitor paxlovid (PF-07321332) and ivermectin with the monomer of the main protease SARS-CoV-2: A volumetric study based on molecular dynamics, elastic networks, classical thermodynamics and SPT.	Comput. Biol. Chem.	2022	DBLP DOI BibTeX RDF
17	Soundarya Priya Alexandar, Ragothaman Yennamalli, Venkatasubramanian Ulaganathan	Coarse grained modelling highlights the binding differences in the two different allosteric sites of the Human Kinesin EG5 and its implications in inhibitor design.	Comput. Biol. Chem.	2022	DBLP DOI BibTeX RDF
17	Mehdi Yoosefian, Maryam Zeraati Moghani, Alfredo Juan	In silico evaluation of atazanavir as a potential HIV main protease inhibitor and its comparison with new designed analogs.	Comput. Biol. Medicine	2022	DBLP DOI BibTeX RDF
17	Yue Wang, Dongya Qin, Liang Jin, Guizhao Liang	Caffeoyl malic acid is a potential dual inhibitor targeting TNFα/IL-4 evaluated by a combination strategy of network analysis-deep learning-molecular simulation.	Comput. Biol. Medicine	2022	DBLP DOI BibTeX RDF
17	Mohammed Baqur S. Al-Shuhaib, Hayder O. Hashim, Jafar M. B. Al-Shuhaib	Epicatechin is a promising novel inhibitor of SARS-CoV-2 entry by disrupting interactions between angiotensin-converting enzyme type 2 and the viral receptor binding domain: A computational/simulation study.	Comput. Biol. Medicine	2022	DBLP DOI BibTeX RDF
17	Zarrin Basharat, Umaima Akhtar, Kanwal Khan, Ghallab Alotaibi, Khurshid Jalal, Muhammad Naseer Abbas, Ajmal Hayat, Diyar Ahmad, Syed Shah Hassan	Differential analysis of Orientia tsutsugamushi genomes for therapeutic target identification and possible intervention through natural product inhibitor screening.	Comput. Biol. Medicine	2022	DBLP DOI BibTeX RDF
17	Luca Arcari, Giacomo Tini, Giovanni Camastra, Federica Ciolina, Domenico De Santis, Domitilla Russo, Damiano Caruso, Massimiliano Danti, Luca Cacciotti	Cardiac Magnetic Resonance Imaging in Immune Check-Point Inhibitor Myocarditis: A Systematic Review.	J. Imaging	2022	DBLP DOI BibTeX RDF
17	Yolanda Ramírez, María F. Laguna, Miguel Holgado	New Label-Free Biosensing for the Evaluation of the AX-024 Inhibitor: Case Study for the Development of New Drugs in Autoimmune Diseases.	Sensors	2022	DBLP DOI BibTeX RDF
17	Jiaying Zheng	PD-1 Inhibitor Treatment in Mastocytosis Increasing T and NK Cell Numbers and Activation.	ISAIMS	2022	DBLP DOI BibTeX RDF
17	Raymond R. Devillers, Ronny Tredup	Synthesis of Inhibitor-Reset Petri Nets: Algorithmic and Complexity Issues.	Petri Nets	2022	DBLP DOI BibTeX RDF
17	Adham Khaled, Zeinab Abd El Haliem	Generative Recurrent Network For Design SARS-CoV-2 Main Protease Inhibitor.	SoftCOM	2022	DBLP BibTeX RDF
17	Xin-Yu Liu	Thromboembolism Adverse Events Caused by Immune Checkpoint Inhibitor Therapy: A Disproportionality Study from 2010 to 2020 based on FAERS Database.	ICBBB	2022	DBLP DOI BibTeX RDF
17	Theodore C. Feldman, Nathanael Fillmore, Nhan V. Do, Mary Brophy, David Kaplan, Albert Lin	Phenotyping Hepatic Immune-Related Adverse Events After Immune Checkpoint Inhibitor Therapy.	AMIA	2022	DBLP BibTeX RDF
17	Gregor Pasemann, Sven Flemming, Sergio Alonso, Carsten Beta, Wilhelm Stannat	Diffusivity Estimation for Activator-Inhibitor Models: Theory and Application to Intracellular Dynamics of the Actin Cytoskeleton.	J. Nonlinear Sci.	2021	DBLP DOI BibTeX RDF
17	Norshah Rizal Ali, Motasem H. Ghanim, Mohd Zaid Abdullah, Mohamad Adzhar Md Zawawi	Leakage-Free Nucleic Acid Biochip Featuring Bioinert Photocurable Inhibitor.	IEEE Access	2021	DBLP DOI BibTeX RDF
17	Redouane Douaifia, Samir Bendoukha, Salem Abdelmalek 0001	A Newton interpolation based predictor-corrector numerical method for fractional differential equations with an activator-inhibitor case study.	Math. Comput. Simul.	2021	DBLP DOI BibTeX RDF
17	Faiyaz Md. Efaz, Shafiqul Islam, Shafi Ahmad Talukder, Shaila Akter, Md. Zakaria Tashrif, Md. Ackas Ali, Md. Abu Sufian, Md. Rimon Parves, Md. Jahirul Islam, Mohammad A. Halim	Repurposing fusion inhibitor peptide against SARS-CoV-2.	J. Comput. Chem.	2021	DBLP DOI BibTeX RDF
17	Afsaneh Javadi, Faezeh Keighobadi, Vahab Nekoukar, Marzieh Ebrahimi	Finite-Set Model Predictive Control of Melanoma Cancer Treatment Using Signaling Pathway Inhibitor of Cancer Stem Cell.	IEEE ACM Trans. Comput. Biol. Bioinform.	2021	DBLP DOI BibTeX RDF
17	Markus R. Hermann, Alexander Pautsch, Marc A. Grundl, Alexander Weber 0002, Christofer S. Tautermann	Covalent inhibitor reactivity prediction by the electrophilicity index - in and out of scope.	J. Comput. Aided Mol. Des.	2021	DBLP DOI BibTeX RDF
17	Zhe Huai, Huaiyu Yang, Zhaoxi Sun	Binding thermodynamics and interaction patterns of human purine nucleoside phosphorylase-inhibitor complexes from extensive free energy calculations.	J. Comput. Aided Mol. Des.	2021	DBLP DOI BibTeX RDF
17	Mesfer Al Shahrani, Mohammad Abohassan, Mohammad Y. Alshahrani, Abdulrahim R. Hakami, Prasanna Rajagopalan	High-throughput virtual screening and preclinical analysis identifies CB-1, a novel potent dual B-Raf/c-Raf inhibitor, effective against wild and mutant variants of B-Raf expression in colorectal carcinoma.	J. Comput. Aided Mol. Des.	2021	DBLP DOI BibTeX RDF
17	Murray Bruce Reed, Thomas Vanicek, René Seiger, Manfred Klöbl, Benjamin Spurny, Patricia Handschuh, Vera Ritter, Jakob Unterholzner, Godber Mathis Godbersen, Gregor Gryglewski, Christoph Kraus, Dietmar Winkler 0002, Andreas Hahn 0001, Rupert Lanzenberger	Neuroplastic effects of a selective serotonin reuptake inhibitor in relearning and retrieval.	NeuroImage	2021	DBLP DOI BibTeX RDF
17	S. Usha, Jaynthy Chellam	A computational analysis of cancer inhibitor ortho benzoyl vanillin.	Int. J. Bioinform. Res. Appl.	2021	DBLP DOI BibTeX RDF
17	Kei Moritsugu, Koh Takeuchi, Narutoshi Kamiya, Junichi Higo, Isao Yasumatsu, Yoshifumi Fukunishi, Ikuo Fukuda	Flexibility and Cell Permeability of Cyclic Ras-Inhibitor Peptides Revealed by the Coupled Nosé-Hoover Equation.	J. Chem. Inf. Model.	2021	DBLP DOI BibTeX RDF
17	Grigorii V. Andrianov, Wern Juin Gabriel Ong, Ilya Serebriiskii, John Karanicolas	Efficient Hit-to-Lead Searching of Kinase Inhibitor Chemical Space via Computational Fragment Merging.	J. Chem. Inf. Model.	2021	DBLP DOI BibTeX RDF
17	Zhicheng Hu, Lihua Bie, Jun Gao, Xiaocong Wang	Insights into Selectin Inhibitor Design from Endogenous Isomeric Ligands of SLea and SLex.	J. Chem. Inf. Model.	2021	DBLP DOI BibTeX RDF
17	Zhe Huai, Zhaoxi Shen, Zhaoxi Sun	Binding Thermodynamics and Interaction Patterns of Inhibitor-Major Urinary Protein-I Binding from Extensive Free-Energy Calculations: Benchmarking AMBER Force Fields.	J. Chem. Inf. Model.	2021	DBLP DOI BibTeX RDF
17	Lizhao Hu, Yuyao Yang, Shuangjia Zheng, Jun Xu, Ting Ran, Hongming Chen 0001	Kinase Inhibitor Scaffold Hopping with Deep Learning Approaches.	J. Chem. Inf. Model.	2021	DBLP DOI BibTeX RDF
17	Ernest Awoonor-Williams, Christopher N. Rowley	Modeling the Binding and Conformational Energetics of a Targeted Covalent Inhibitor to Bruton's Tyrosine Kinase.	J. Chem. Inf. Model.	2021	DBLP DOI BibTeX RDF
17	Souvik Banerjee, Shalini Yadav, Sourav Banerjee, Sayo O. Fakayode, Jyothi Parvathareddy, Walter Reichard, Surekha Surendranathan, Foyez Mahmud, Ryan Whatcott, Joshua Thammathong, Bernd Meibohm, Duane D. Miller, Colleen B. Jonsson, Kshatresh Dutta Dubey	Drug Repurposing to Identify Nilotinib as a Potential SARS-CoV-2 Main Protease Inhibitor: Insights from a Computational and In Vitro Study.	J. Chem. Inf. Model.	2021	DBLP DOI BibTeX RDF
17	Richard S. Hong, Alessandra Mattei, Ahmad Y. Sheikh, Rajni Miglani Bhardwaj, Michael A. Bellucci, Keith F. McDaniel, M. Olivia Pierce, Guangxu Sun, Sizhu Li, Lingle Wang, Sayan Mondal, Jianguo Ji, Thomas B. Borchardt	Novel Physics-Based Ensemble Modeling Approach That Utilizes 3D Molecular Conformation and Packing to Access Aqueous Thermodynamic Solubility: A Case Study of Orally Available Bromodomain and Extraterminal Domain Inhibitor Lead Optimization Series.	J. Chem. Inf. Model.	2021	DBLP DOI BibTeX RDF
17	Kouji Harada, Tomonari Sumi	A mathematical study on the effects of a combination of an immune checkpoint inhibitor and a mutagen for anti-HIV-1 therapy.	Artif. Life Robotics	2021	DBLP DOI BibTeX RDF
17	Ziyi Yang, Zhaofeng Ye, Yijia Xiao, Chang-Yu Hsieh	SPLDExtraTrees: Robust machine learning approach for predicting kinase inhibitor resistance.	CoRR	2021	DBLP BibTeX RDF
17	Zheng Ren, Qian Li, Yiwen Shen 0003, Ling Meng	Intrinsic relative preference profile of pan-kinase inhibitor drug staurosporine towards the clinically occurring gatekeeper mutations in Protein Tyrosine Kinases.	Comput. Biol. Chem.	2021	DBLP DOI BibTeX RDF
17	Li-Te Chin, Ke-Wei Liu, Yi-Han Chen, Shu-Ching Hsu, Lin Huang	Cell-based assays and molecular simulation reveal that the anti-cancer harmine is a specific matrix metalloproteinase-3 (MMP-3) inhibitor.	Comput. Biol. Chem.	2021	DBLP DOI BibTeX RDF
17	Umesh Panwar, Sanjeev Kumar Singh	In silico virtual screening of potent inhibitor to hamper the interaction between HIV-1 integrase and LEDGF/p75 interaction using E-pharmacophore modeling, molecular docking, and dynamics simulations.	Comput. Biol. Chem.	2021	DBLP DOI BibTeX RDF
17	Kehinde F. Omolabi, Emmanuel A. Iwuchukwu, Paul O. Odeniran, Mahmoud E. S. Soliman	Could chroman-4-one derivative be a better inhibitor of PTR1? - Reason for the identified disparity in its inhibitory potency in Trypanosoma brucei and Leishmania major.	Comput. Biol. Chem.	2021	DBLP DOI BibTeX RDF
17	Izzuddin Ahmad Nadzirin, Adam Leow Thean Chor, Abu Bakar Salleh, Mohd Basyaruddin Abdul Rahman, Bimo Ario Tejo	Discovery of new inhibitor for the protein arginine deiminase type 4 (PAD4) by rational design of α-enolase-derived peptides.	Comput. Biol. Chem.	2021	DBLP DOI BibTeX RDF
17	Abazar Arabameri, Arash Pourgholaminejad	Modeling codelivery of CD73 inhibitor and dendritic cell-based vaccines in cancer immunotherapy.	Comput. Biol. Chem.	2021	DBLP DOI BibTeX RDF
17	Sanna Iivanainen, Jussi Ekstrom, Henri Virtanen, Vesa V. Kataja, Jussi P. Koivunen	Electronic patient-reported outcomes and machine learning in predicting immune-related adverse events of immune checkpoint inhibitor therapies.	BMC Medical Informatics Decis. Mak.	2021	DBLP DOI BibTeX RDF
17	Yawen Wang, Yunfei Guo, Wenbo Wang, Hao Liang, Shumin Huo	INHIBITOR: An intrusion tolerant scheduling algorithm in cloud-based scientific workflow system.	Future Gener. Comput. Syst.	2021	DBLP DOI BibTeX RDF
17	Atul Kumar Singh, Prem Prakash Kushwaha, Kumari Sunita Prajapati, Mohd Shuaib, Sanjay Gupta, Shashank Kumar	Identification of FDA approved drugs and nucleoside analogues as potential SARS-CoV-2 A1pp domain inhibitor: An in silico study.	Comput. Biol. Medicine	2021	DBLP DOI BibTeX RDF
17	Juan Marcelo Carpio Arévalo, Juliana Carolina Amorim	An in-silico analysis reveals 7, 7′-bializarin as a promising DNA gyrase B inhibitor on Gram-positive and Gram-negative bacteria.	Comput. Biol. Medicine	2021	DBLP DOI BibTeX RDF
17	Jignesh Prajapati, Rohit Patel, Dweipayan Goswami, Meenu Saraf, Rakesh M. Rawal	Sterenin M as a potential inhibitor of SARS-CoV-2 main protease identified from MeFSAT database using molecular docking, molecular dynamics simulation and binding free energy calculation.	Comput. Biol. Medicine	2021	DBLP DOI BibTeX RDF
17	Amir Hossein Arshia, Shayan Shadravan, Aida Solhjoo, Amirhossein Sakhteman, Ashkan Sami	De novo design of novel protease inhibitor candidates in the treatment of SARS-CoV-2 using deep learning, docking, and molecular dynamic simulations.	Comput. Biol. Medicine	2021	DBLP DOI BibTeX RDF
17	Shira Roth, Amos Danielli	Rapid and Sensitive Inhibitor Screening Using Magnetically Modulated Biosensors.	Sensors	2021	DBLP DOI BibTeX RDF
17	Masaki Aida, Ayako Hashizume	Activator-Inhibitor Model for Describing Interactions Between Fake News and Their Corrections.	COMPLEX NETWORKS	2021	DBLP DOI BibTeX RDF
17	Jana Gundlach, Olga Abramova	Newsfeed Clutter as an Inhibitor of Sensemaking.	AMCIS	2021	DBLP BibTeX RDF
17	Peter Klein 0001, Heinz A. Preisig, Martin Thomas Horsch, Natalia A. Konchakova	Application of an Ontology Based Process Model Construction Tool for Active Protective Coatings: Corrosion Inhibitor Release.	JOWO	2021	DBLP BibTeX RDF
17	Marko Antonijevic, Dusica Simijonovic, Dejan A. Milenkovic, Zoran Markovic	Molecular docking study of coumarin-hydroxybenzohydrazide hybrid as an inhibitor of carbonic anhydrases IX and XII.	BIBE	2021	DBLP DOI BibTeX RDF
17	Fumika Moriya, Kenta Shimba, Kiyoshi Kotani, Yasuhiko Jimbo	Change in network dynamics over time by administering Notch response inhibitor DAPT to hippocampal culture.	EMBC	2021	DBLP DOI BibTeX RDF
17	Haiping Zhang, Tingting Zhang, Konda Mani Saravanan, Linbu Liao, Hao Wu, Haishan Zhang, Huiling Zhang, Yi Pan 0001, Xuli Wu, Yanjie Wei	A novel virtual drug screening pipeline with deep-leaning as core component identifies inhibitor of pancreatic alpha-amylase.	BIBM	2021	DBLP DOI BibTeX RDF
17	Chandra Mouli Madhuranthakam, Shannon Fenendes	Docking and Molecular Dynamic Simulations of Cholecalciferol (Vitamin D3) as a Promising Inhibitor of Main Protease of Coronavirus to Prevent COVID-19 Infection.	ICCMS	2021	DBLP DOI BibTeX RDF
17	Ziyi Li, Binbin Wang, Shengqing Gu, Peng Jiang, Avinash Das Sahu, Chen-Hao Chen, Tong Han, Sailing Shi, Xiaoqing Wang, Nicole Traugh, Hailing Liu, Yin Liu, Qiu Wu, Myles Brown, Tengfei Xiao, Genevieve M. Boland, Xiaole Shirley Liu	CRISPR Screens Identify Essential Cell Growth Mediators in BRAF Inhibitor-resistant Melanoma.	Genom. Proteom. Bioinform.	2020	DBLP DOI BibTeX RDF
17	Gert-Jan Bekker, Mitsugu Araki, Kanji Oshima, Yasushi Okuno, Narutoshi Kamiya	Exhaustive search of the configurational space of heat-shock protein 90 with its inhibitor by multicanonical molecular dynamics based dynamic docking.	J. Comput. Chem.	2020	DBLP DOI BibTeX RDF
17	Xiaoqian Xu, Li Zhang, Ying Cai, Dongxin Liu, Zhengwen Shang, Qiuhong Ren, Qiong Li, Weidong Zhao, Yuhua Chen	Inhibitor discovery for the E. coli meningitis virulence factor IbeA from homology modeling and virtual screening.	J. Comput. Aided Mol. Des.	2020	DBLP DOI BibTeX RDF
17	Marianna Bufano, Marion Laudette, Jean-Paul Blondeau, Frank Lezoualc'h, Marianna Nalli, Romano Silvestri, Andrea Brancale, Antonio Coluccia	Modeling Epac1 interactions with the allosteric inhibitor AM-001 by co-solvent molecular dynamics.	J. Comput. Aided Mol. Des.	2020	DBLP DOI BibTeX RDF
17	Manish Kumar Tripathi, Piyoosh Sharma, Avanish Tripathi, Prabhash Nath Tripathi, Pavan Srivastava, Ankit Seth, Sushant Kumar Shrivastava	Computational exploration and experimental validation to identify a dual inhibitor of cholinesterase and amyloid-beta for the treatment of Alzheimer's disease.	J. Comput. Aided Mol. Des.	2020	DBLP DOI BibTeX RDF
17	Ravi Kumar Rajan, Muthiah Ramanathan	Identification and neuroprotective evaluation of a potential c-Jun N-terminal kinase 3 inhibitor through structure-based virtual screening and in-vitro assay.	J. Comput. Aided Mol. Des.	2020	DBLP DOI BibTeX RDF
17	Liang-Chin Huang, Wayland Yeung, Ye Wang, Huimin Cheng, Aarya Venkat, Sheng Li 0001, Ping Ma, Khaled Rasheed, Natarajan Kannan	Quantitative Structure-Mutation-Activity Relationship Tests (QSMART) model for protein kinase inhibitor response prediction.	BMC Bioinform.	2020	DBLP DOI BibTeX RDF
17	Ryo Hatada, Koji Okuwaki, Yuji Mochizuki, Yuma Handa, Kaori Fukuzawa, Yuto Komeiji, Yoshio Okiyama, Shigenori Tanaka	Fragment Molecular Orbital Based Interaction Analyses on COVID-19 Main Protease - Inhibitor N3 Complex (PDB ID: 6LU7).	J. Chem. Inf. Model.	2020	DBLP DOI BibTeX RDF
17	Helen M. Deeks, Rebecca Walters, Jonathan Barnoud, David R. Glowacki, Adrian J. Mulholland	Interactive Molecular Dynamics in Virtual Reality Is an Effective Tool for Flexible Substrate and Inhibitor Docking to the SARS-CoV-2 Main Protease.	J. Chem. Inf. Model.	2020	DBLP DOI BibTeX RDF
17	Bashir Akhlaq Akhoon, Sushil Choudhary, Harshita Tiwari, Ajay Kumar, Manas Ranjan Barik, Laxmi Rathor, Rakesh Pandey, Amit Nargotra	Discovery of a New Donepezil-like Acetylcholinesterase Inhibitor for Targeting Alzheimer's Disease: Computational Studies with Biological Validation.	J. Chem. Inf. Model.	2020	DBLP DOI BibTeX RDF
17	Felipe R. S. Santos, William G. Lima, Eduardo H. B. Maia, Letícia C. Assis, Danilo Davyt, Alex Gutterres Taranto, Jaqueline M. S. Ferreira	Identification of a Potential Zika Virus Inhibitor Targeting NS5 Methyltransferase Using Virtual Screening and Molecular Dynamics Simulations.	J. Chem. Inf. Model.	2020	DBLP DOI BibTeX RDF
17	Fernando Bruno da Silva, Vinícius Martins de Oliveira, Murilo Nogueira Sanches, Vinícius G. Contessoto, Vitor B. P. Leite	Rational Design of Chymotrypsin Inhibitor 2 by Optimizing Non-Native Interactions.	J. Chem. Inf. Model.	2020	DBLP DOI BibTeX RDF
17	Isaac de Araújo Matos, Nivan Bezerra da Costa Júnior, Flavia Carla Meotti	Integration of an Inhibitor-like Rule and Structure-based Virtual Screening for the Discovery of Novel Myeloperoxidase Inhibitors.	J. Chem. Inf. Model.	2020	DBLP DOI BibTeX RDF
17	Maywan Hariono, Rina F. Nuwarda, Muhammad Yusuf, Rollando Rollando, Riris Istighfari Jenie, Belal Al-Najjar, Jeffry Julianus, Kevin C. Putra, Ervan S. Nugroho, Yohanes K. Wisnumurti, Sangga P. Dewa, Benedictus W. Jati, Reynaldo Tiara, Ratna D. Ramadani, Lailatul Qodria, Habibah A. Wahab	Arylamide as Potential Selective Inhibitor for Matrix Metalloproteinase 9 (MMP9): Design, Synthesis, Biological Evaluation, and Molecular Modeling.	J. Chem. Inf. Model.	2020	DBLP DOI BibTeX RDF
17	Dominique Sydow, Paula Schmiel, Jérémie Mortier, Andrea Volkamer	KinFragLib: Exploring the Kinase Inhibitor Space Using Subpocket-Focused Fragmentation and Recombination.	J. Chem. Inf. Model.	2020	DBLP DOI BibTeX RDF
17	Süleyman Selim Çinaroglu, Emel Timuçin	Comprehensive evaluation of the MM-GBSA method on bromodomain-inhibitor sets.	Briefings Bioinform.	2020	DBLP DOI BibTeX RDF
17	Gregor Pasemann, Sven Flemming, Sergio Alonso, Carsten Beta, Wilhelm Stannat	Diffusivity Estimation for Activator-Inhibitor Models: Theory and Application to Intracellular Dynamics of the Actin Cytoskeleton.	CoRR	2020	DBLP BibTeX RDF
17	Redouane Douaifia, Samir Bendoukha, Salem Abdelmalek 0001	A Newton interpolation based predictor-corrector numerical method for fractional differential equations with an activator-inhibitor case study.	CoRR	2020	DBLP BibTeX RDF
17	Tim Cofala, Lars Elend, Philip Mirbach, Jonas Prellberg, Thomas Teusch, Oliver Kramer 0001	Evolutionary Multi-Objective Design of SARS-CoV-2 Protease Inhibitor Candidates.	CoRR	2020	DBLP BibTeX RDF
17	Muhammad Usman Mirza, Sarfraz Ahmad, Iskandar Abdullah, Matheus Froeyen	Identification of novel human USP2 inhibitor and its putative role in treatment of COVID-19 by inhibiting SARS-CoV-2 papain-like (PLpro) protease.	Comput. Biol. Chem.	2020	DBLP DOI BibTeX RDF
17	Julia Liang, Eleni Pitsillou, Chris Karagiannis, Kevion K. Darmawan, Ken Ng, Andrew Hung, Tom C. Karagiannis	Interaction of the prototypical α-ketoamide inhibitor with the SARS-CoV-2 main protease active site in silico: Molecular dynamic simulations highlight the stability of the ligand-protein complex.	Comput. Biol. Chem.	2020	DBLP DOI BibTeX RDF
17	Melisa Hendrata, Janti Sudiono	Multiscale modeling of tumor response to vascular endothelial growth factor (VEGF) inhibitor.	Silico Biol.	2020	DBLP DOI BibTeX RDF
17	Debajit Dey, Subhomoi Borkotoky, Manidipa Banerjee	In silico identification of Tretinoin as a SARS-CoV-2 envelope (E) protein ion channel inhibitor.	Comput. Biol. Medicine	2020	DBLP DOI BibTeX RDF
17	Mantas Naris, Nicholas S. Szczecinski, Roger D. Quinn	A neuromechanical model exploring the role of the common inhibitor motor neuron in insect locomotion.	Biol. Cybern.	2020	DBLP DOI BibTeX RDF
17	Chien-Yu Chou, Chung-Yin Lin, Cheng-Hsin Wu, Dar-Fu Tai	Sensing HIV Protease and Its Inhibitor Using "Helical Epitope" - Imprinted Polymers.	Sensors	2020	DBLP DOI BibTeX RDF
17	Haiping Zhang, Yang Yang, Junxin Li, Min Wang, Konda Mani Saravanan, Jinli Wei, Justin Tze-Yang Ng, Md. Tofazzal Hossain, Maoxuan Liu, Huiling Zhang, Xiaohu Ren, Yi Pan 0001, Yin Peng, Yi Shi, Xiaochun Wan, Yingxia Liu, Yanjie Wei	A novel virtual screening procedure identifies Pralatrexate as inhibitor of SARS-CoV-2 RdRp and it reduces viral replication in vitro.	PLoS Comput. Biol.	2020	DBLP DOI BibTeX RDF
17	Raquel Rodríguez-Pérez, Filip Miljkovic, Jürgen Bajorath	Assessing the information content of structural and protein-ligand interaction representations for the classification of kinase inhibitor binding modes via machine learning and active learning.	J. Cheminformatics	2020	DBLP DOI BibTeX RDF
17	Yumin Chen	Guinea pig erythrocytes without neuraminidase inhibitor.		2020	DOI RDF
17	Tim Cofala, Lars Elend, Philip Mirbach, Jonas Prellberg, Thomas Teusch, Oliver Kramer 0001	Evolutionary Multi-objective Design of SARS-CoV-2 Protease Inhibitor Candidates.	PPSN (2)	2020	DBLP DOI BibTeX RDF
17	Fangfang Li, Yunan Zhao, Zhongnan Yu, Gong Chen	GSK-J4, a Histone Demethylase JMJD3 Inhibitor, Modulates Immune-related Protein Expression on Colon Cancer Cells.	BIBE	2020	DBLP DOI BibTeX RDF
17	Daniel Pradipta Juniardi, Diah Indriani Widiputri, Irvan Setiadi Kartawiria	Study on The Potential Application of Water Hyacinth as An Organic Corrosion Inhibitor.	ICONETSI	2020	DBLP DOI BibTeX RDF
17	Arata Andrade Saraiva, Soares Jeferson, Felipe Miranda de Jesus Castro, José Vigno Moura Sousa, Nuno M. Fonseca Ferreira, João do E. S. Batista Neto, Salviano Soares, António Valente	Chikungunya Virus Inhibitor Study based on Molecular Docking Experiments.	BIOINFORMATICS	2020	DBLP DOI BibTeX RDF
17	Yang Sing Leong, Pin Jern Ker, Muhamad Haziq Hasnul, Mahdi All Khamis, M. A. Hannan, Md Zaini Jamaludin, Looe Hui Mun	Portable Device for Transformer Oil Inhibitor Content Analysis Using Near-Infrared Spectroscopy Wavelength.	IAS	2020	DBLP DOI BibTeX RDF
17	Yoshito Zamami, Takahiro Niimura, Yuki Izawa-Ishizawa, Mitsuhiro Goda, Kenshi Takechi, Masayuki Chuma, Keijo Fukushima, Yuya Horinouchi, Yasumasa Ikeda, Hiromichi Fujino, Keisuke Ishizawa	Elucidation of risk factors of immune checkpoint inhibitor-induced fatal adverse events by using large-scale medical information.	AMIA	2020	DBLP BibTeX RDF
17	Mingyue Tan, Jiming Li, Guangyuan Xu, Xuezhen Cheng	A Novel Intuitionistic Fuzzy Inhibitor Arc Petri Net With Error Back Propagation Algorithm and Application in Fault Diagnosis.	IEEE Access	2019	DBLP DOI BibTeX RDF
17	Jui-Ling Yu, Sophia R.-J. Jang	A mathematical model of tumor-immune interactions with an immune checkpoint inhibitor.	Appl. Math. Comput.	2019	DBLP DOI BibTeX RDF
17	Min Han, Dongdong Sun	Rational creation and systematic analysis of cervical cancer kinase-inhibitor binding profile.	J. Comput. Aided Mol. Des.	2019	DBLP DOI BibTeX RDF
17	Nizar A. Al-Shar'i, Qosay A. E. Al-Balas, Rand A. Al-Waqfi, Mohammad A. Hassan, Amer E. Alkhalifa, Nehad M. Ayoub	Discovery of a nanomolar inhibitor of the human glyoxalase-I enzyme using structure-based poly-pharmacophore modelling and molecular docking.	J. Comput. Aided Mol. Des.	2019	DBLP DOI BibTeX RDF
17	Daniel Tietze, Desireé Kaufmann, Alesia A. Tietze, Andreas Voll, Raphael Reher, Gabriele M. König, Felix Hausch	Structural and Dynamical Basis of G Protein Inhibition by YM-254890 and FR900359: An Inhibitor in Action.	J. Chem. Inf. Model.	2019	DBLP DOI BibTeX RDF
17	Yie-Vern Lee, Sy Bing Choi, Habibah A. Wahab, Theam Soon Lim, Yee-Siew Choong	Applications of Ensemble Docking in Potential Inhibitor Screening forMycobacterium tuberculosisIsocitrate Lyase Using a Local Plant Database.	J. Chem. Inf. Model.	2019	DBLP DOI BibTeX RDF
17	Antonius P. A. Janssen, Sebastian H. Grimm, Ruud H. M. Wijdeven, Eelke B. Lenselink, Jacques Neefjes, Constant A. A. van Boeckel, Gerard J. P. van Westen, Mario van der Stelt	Drug Discovery Maps, a Machine Learning Model That Visualizes and Predicts Kinome-Inhibitor Interaction Landscapes.	J. Chem. Inf. Model.	2019	DBLP DOI BibTeX RDF
17	Haoyu S. Yu, Cen Gao, Dmitry Lupyan, Yujie Wu, Takayuki Kimura, Chuanjie Wu, Leif D. Jacobson, Edward Harder, Robert Abel, Lingle Wang	Toward Atomistic Modeling of Irreversible Covalent Inhibitor Binding Kinetics.	J. Chem. Inf. Model.	2019	DBLP DOI BibTeX RDF
17	Rayees Rahman, Peter Man-Un Ung, Avner Schlessinger	KinaMetrix: a web resource to investigate kinase conformations and inhibitor space.	Nucleic Acids Res.	2019	DBLP DOI BibTeX RDF
17	Yu-Chen Lo, Tianyun Liu, Kari M. Morrissey, Satoko Kakiuchi-Kiyota, Adam R. Johnson, Fabio Broccatelli, Yu Zhong, Amita Joshi, Russ B. Altman	Computational analysis of kinase inhibitor selectivity using structural knowledge.	Bioinform.	2019	DBLP DOI BibTeX RDF
17	Mohammad Vahed, Gholamreza Ahmadian, Niyoosha Ameri, Majid Vahed	G-rich VEGF aptamer as a potential inhibitor of chitin trafficking signal in emerging opportunistic yeast infection.	Comput. Biol. Chem.	2019	DBLP DOI BibTeX RDF