Search results for "docking"

Hits ?▲	Authors	Title	Venue	Year	Link
12		Screening of Prospective Plant Compounds as H1R and CL1R Inhibitors and Its Antiallergic Efficacy through Molecular Docking Approach.	Comput. Math. Methods Medicine	2021	DBLP DOI BibTeX RDF
12	Aleksandra E. Badaczewska-Dawid, Sebastian Kmiecik, Michal Kolinski	Docking of peptides to GPCRs using a combination of CABS-dock with FlexPepDock refinement.	Briefings Bioinform.	2021	DBLP DOI BibTeX RDF
12	Wei Zhang, Qiaozhen Meng, Jijun Tang, Fei Guo 0001	Exploring effectiveness of ab-initio protein-protein docking methods on a novel antibacterial protein complex dataset.	Briefings Bioinform.	2021	DBLP DOI BibTeX RDF
12	Taj Mohammad, Yash Mathur, Md. Imtaiyaz Hassan	InstaDock: A single-click graphical user interface for molecular docking-based virtual high-throughput screening.	Briefings Bioinform.	2021	DBLP DOI BibTeX RDF
12	Yiheng Liu, Honglun Wang, Jiaxuan Fan	Docking Safety Assessment and Optimization for Autonomous Aerial Refueling: A Data-Driven Method.	IEEE Syst. J.	2021	DBLP DOI BibTeX RDF
12	Charles Christoffer, Siyang Chen, Vijay Bharadwaj, Tunde Aderinwale, Vidhur Kumar, Matin Hormati, Daisuke Kihara	LZerD webserver for pairwise and multiple protein-protein docking.	Nucleic Acids Res.	2021	DBLP DOI BibTeX RDF
12	Taeyong Park 0002, Jonghun Won, Minkyung Baek, Chaok Seok	GalaxyHeteromer: protein heterodimer structure prediction by template-based and ab initio docking.	Nucleic Acids Res.	2021	DBLP DOI BibTeX RDF
12	Chloé Quignot, Guillaume Postic, Hélène Bret, Julien Rey, Pierre Granger, Samuel Murail, Pablo Chacón, Jessica Andreani, Pierre Tufféry, Raphaël Guérois	InterEvDock3: a combined template-based and free docking server with increased performance through explicit modeling of complex homologs and integration of covariation-based contact maps.	Nucleic Acids Res.	2021	DBLP DOI BibTeX RDF
12	Petra Cechová, Martin Kubala	Comparison of three nature inspired molecular docking algorithms.	Int. J. Bio Inspired Comput.	2021	DBLP DOI BibTeX RDF
12	Pawel Krupa, Agnieszka S. Karczynska, Magdalena A. Mozolewska, Adam Liwo, Cezary Czaplewski	UNRES-Dock - protein-protein and peptide-protein docking by coarse-grained replica-exchange MD simulations.	Bioinform.	2021	DBLP DOI BibTeX RDF
12	Baldomero Imbernón, Antonio Serrano, Andrés Bueno-Crespo, José L. Abellán, Horacio Pérez Sánchez, José M. Cecilia	METADOCK 2: a high-throughput parallel metaheuristic scheme for molecular docking.	Bioinform.	2021	DBLP DOI BibTeX RDF
12	Georgios Iakovou, Mousa Alhazzazi, Steven Hayward, Stephen D. Laycock	DockIT: a tool for interactive molecular docking and molecular complex construction.	Bioinform.	2021	DBLP DOI BibTeX RDF
12	Justine C. Williams, Subha Kalyaanamoorthy	PoseFilter: a PyMOL plugin for filtering and analyzing small molecule docking in symmetric binding sites.	Bioinform.	2021	DBLP DOI BibTeX RDF
12	John Lamb, Arne Elofsson	pyconsFold: a fast and easy tool for modeling and docking using distance predictions.	Bioinform.	2021	DBLP DOI BibTeX RDF
12	Leonardo Solis-Vasquez, Erich Focht, Andreas Koch 0001	Porting and Optimizing Molecular Docking onto the SX-Aurora TSUBASA Vector Computer.	Supercomput. Front. Innov.	2021	DBLP DOI BibTeX RDF
12	Gedaliah Knizhnik, Mark Yim	Docking and Undocking a Modular Underactuated Oscillating Swimming Robot.	CoRR	2021	DBLP BibTeX RDF
12	Ali Taghibakhshi, Nathan Ogden, Matthew West 0001	Local Navigation and Docking of an Autonomous Robot Mower using Reinforcement Learning and Computer Vision.	CoRR	2021	DBLP BibTeX RDF
12	Zijing Liu, Xianbin Ye, Xiaoming Fang, Fan Wang, Hua Wu 0003, Haifeng Wang 0001	Docking-based Virtual Screening with Multi-Task Learning.	CoRR	2021	DBLP BibTeX RDF
12	Dimas M. Rachman, Atsuo Maki, Yoshiki Miyauchi, Naoya Umeda	Warm-started Semionline Trajectory Planner for Ship's Automatic Docking (Berthing).	CoRR	2021	DBLP BibTeX RDF
12	Mihir Patil, Bilal Wehbe, Matias Valdenegro-Toro	Deep Reinforcement Learning for Continuous Docking Control of Autonomous Underwater Vehicles: A Benchmarking Study.	CoRR	2021	DBLP BibTeX RDF
12	Mirko Leomanni, Renato Quartullo, Gianni Bianchini, Andrea Garulli, Antonio Giannitrapani	Variable-Horizon Guidance for Autonomous Rendezvous and Docking to a Tumbling Target.	CoRR	2021	DBLP BibTeX RDF
12	Joseph Breeden, Dimitra Panagou	Guaranteed Safe Spacecraft Docking with Control Barrier Functions.	CoRR	2021	DBLP BibTeX RDF
12	Masahito Ohue, Yutaka Akiyama	MEGADOCK-GUI: a GUI-based complete cross-docking tool for exploring protein-protein interactions.	CoRR	2021	DBLP BibTeX RDF
12	Shervin Dehghani, Michael Sommersperger, Junjie Yang, Benjamin Busam, Kai Huang 0001, Peter Gehlbach, Iulian Iordachita, Nassir Navab, M. Ali Nasseri	ColibriDoc: An Eye-in-Hand Autonomous Trocar Docking System.	CoRR	2021	DBLP BibTeX RDF
12	Yoshiki Miyauchi, Atsuo Maki, Naoya Umeda, Dimas M. Rachman, Youhei Akimoto	System Parameter Exploration of Ship Maneuvering Model for Automatic Docking / Berthing using CMA-ES.	CoRR	2021	DBLP BibTeX RDF
12	Yang Chen 0026, Diego Paez-Granados, Bruno Leme, Kenji Suzuki 0002	Virtual Landmark-Based Control of Docking Support for Assistive Mobility Devices.	CoRR	2021	DBLP BibTeX RDF
12	Jonathan Wallen, Maddyson Jeske, Zhuoyuan Song	Co-design Optimization for Underwater Vehicle Docking Systems.	CoRR	2021	DBLP BibTeX RDF
12	Miguel García-Ortegón, Gregor N. C. Simm, Austin J. Tripp, José Miguel Hernández-Lobato, Andreas Bender 0002, Sergio Bacallado	DOCKSTRING: easy molecular docking yields better benchmarks for ligand design.	CoRR	2021	DBLP BibTeX RDF
12	Kyle Dunlap, Michael Hibbard, Mark Mote, Kerianne Hobbs	Comparing Run Time Assurance Approaches for Safe Spacecraft Docking.	CoRR	2021	DBLP BibTeX RDF
12	Octavian-Eugen Ganea, Xinyuan Huang, Charlotte Bunne, Yatao Bian, Regina Barzilay, Tommi S. Jaakkola, Andreas Krause 0001	Independent SE(3)-Equivariant Models for End-to-End Rigid Protein Docking.	CoRR	2021	DBLP BibTeX RDF
12	Austin Clyde, Thomas S. Brettin, Alexander Partin, Hyun Seung Yoo, Yadu N. Babuji, Ben Blaiszik, André Merzky, Matteo Turilli, Shantenu Jha, Arvind Ramanathan, Rick Stevens	Protein-Ligand Docking Surrogate Models: A SARS-CoV-2 Benchmark for Deep Learning Accelerated Virtual Screening.	CoRR	2021	DBLP BibTeX RDF
12	Khizar Hayat 0003, Umaira Tariq, Qin Ai Wong, Ching Kheng Quah, Aman Shah Abdul Majid, Mansoureh Nazari V, Mohamed B. Khadeer Ahamed, Muhammad Adnan Iqbal, Syed Ahmed Tirmizi	Green synthesis of selenium based N-heterocyclic carbene compounds; structural, in-vitro anticancer and molecular docking studies.	Comput. Biol. Chem.	2021	DBLP DOI BibTeX RDF
12	Xuan Jiang, Shuxiang Li, Hongbin Zhang, Liang-Liang Wang	Discovery of potentially biased agonists of mu-opioid receptor (MOR) through molecular docking, pharmacophore modeling, and MD simulation.	Comput. Biol. Chem.	2021	DBLP DOI BibTeX RDF
12	Sharon Sunny, P. B. Jayaraj	FPDock: Protein-protein docking using flower pollination algorithm.	Comput. Biol. Chem.	2021	DBLP DOI BibTeX RDF
12	Antistio Aviz-Amador, Neyder Contreras-Puentes, Jairo Mercado-Camargo	Virtual screening using docking and molecular dynamics of cannabinoid analogs against CB1 and CB2 receptors.	Comput. Biol. Chem.	2021	DBLP DOI BibTeX RDF
12	Larysa Metelytsia, Maria M. Trush, Vasyl V. Kovalishyn, Diana M. Hodyna, Maryna V. Kachaeva, Volodymyr Brovarets, Stepan Pilyo, Volodymyr V. Sukhoveev, Serhii A. Tsyhankov, Volodymyr Blagodatnyi, Ivan Semenyuta	1, 3-Oxazole derivatives of cytisine as potential inhibitors of glutathione reductase of Candida spp.: QSAR modeling, docking analysis and experimental study of new anti-Candida agents.	Comput. Biol. Chem.	2021	DBLP DOI BibTeX RDF
12	Laurent Soulère, Thibaut Barbier, Yves Queneau	Docking-based virtual screening studies aiming at the covalent inhibition of SARS-CoV-2 MPro by targeting the cysteine 145.	Comput. Biol. Chem.	2021	DBLP DOI BibTeX RDF
12	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
12	Lei Zhang, Kai Yang, Min Wang, Lizhong Zeng, Enze Sun, Fuxin Zhang, Zhen Cao, Xinxin Zhang, Hui Zhang, Zengjun Guo	Exploring the mechanism of Cremastra Appendiculata (SUANPANQI) against breast cancer by network pharmacology and molecular docking.	Comput. Biol. Chem.	2021	DBLP DOI BibTeX RDF
12	Oky Hermansyah, Alhadi Bustamam, Arry Yanuar	Virtual screening of dipeptidyl peptidase-4 inhibitors using quantitative structure-activity relationship-based artificial intelligence and molecular docking of hit compounds.	Comput. Biol. Chem.	2021	DBLP DOI BibTeX RDF
12	Xinyi Jiao, Xin Jin, Yuanyuan Ma, Yang Yang, Jinjing Li, Liuyi Liang, Rui Liu, Zheng Li	A comprehensive application: Molecular docking and network pharmacology for the prediction of bioactive constituents and elucidation of mechanisms of action in component-based Chinese medicine.	Comput. Biol. Chem.	2021	DBLP DOI BibTeX RDF
12	Stephen Among James, Wai Keat Yam	Sub-structure-based screening and molecular docking studies of potential enteroviruses inhibitors.	Comput. Biol. Chem.	2021	DBLP DOI BibTeX RDF
12	Aniruddh Prasad Chaudhary, Akhilesh Kumar Shukla, Padam Kant	Design, synthesis, antibacterial evaluation, molecular docking and computational study of 4-alkoxy/aryloxyphenyl cyclopropyl methane oxime derivatives.	Comput. Biol. Chem.	2021	DBLP DOI BibTeX RDF
12	Kayode Ezekiel Adewole, Gideon A. Gyebi, Ibrahim M. Ibrahim	Amyloid β fibrils disruption by kolaviron: Molecular docking and extended molecular dynamics simulation studies.	Comput. Biol. Chem.	2021	DBLP DOI BibTeX RDF
12	Ying Liu, Zhiyao Zhao, Haibiao Ma, Quan Quan	A stochastic approximation method for probability prediction of docking success for aerial refueling.	Appl. Soft Comput.	2021	DBLP DOI BibTeX RDF
12	Aldy Gunawan, Audrey Tedja Widjaja, Pieter Vansteenwegen, Vincent F. Yu	A matheuristic algorithm for the vehicle routing problem with cross-docking.	Appl. Soft Comput.	2021	DBLP DOI BibTeX RDF
12	Zhuoran Liu 0002, Dingde Jiang, Changsheng Zhang 0001, Haitong Zhao, Qidong Zhao, Bin Zhang 0001	A Novel Fireworks Algorithm for the Protein-Ligand Docking on the AutoDock.	Mob. Networks Appl.	2021	DBLP DOI BibTeX RDF
12	Gerlach Van der Heide, Kees Jan Roodbergen, Nicky D. van Foreest	Cross docking for libraries with a depot.	Eur. J. Oper. Res.	2021	DBLP DOI BibTeX RDF
12	Marc-Antoine Coindreau, Olivier Gallay, Nicolas Zufferey, Gilbert Laporte	Inbound and outbound flow integration for cross-docking operations.	Eur. J. Oper. Res.	2021	DBLP DOI BibTeX RDF
12	Charles E. Oestreich, Richard Linares, Ravi Gondhalekar	Autonomous Six-Degree-of-Freedom Spacecraft Docking with Rotating Targets via Reinforcement Learning.	J. Aerosp. Inf. Syst.	2021	DBLP DOI BibTeX RDF
12	Siqi Xu, Li Wang 0084, Xianchao Pan	An evaluation of combined strategies for improving the performance of molecular docking.	J. Bioinform. Comput. Biol.	2021	DBLP DOI BibTeX RDF
12	Kaushik Sarkar, Rajesh Kumar Das	Molecular docking, ADME and toxicity study of some chemical and natural plant based drugs against COVID-19 main protease.	Int. J. Comput. Biol. Drug Des.	2021	DBLP DOI BibTeX RDF
12	Somdutt Mujwar, Kamal Shah, Jeetendra Kumar Gupta, Alekh Gour	Docking based screening of curcumin derivatives: a novel approach in the inhibition of tubercular DHFR.	Int. J. Comput. Biol. Drug Des.	2021	DBLP DOI BibTeX RDF
12	Sai Manohar Thota, Naresh Krishna Narasimha	Screening for novel lead compounds targeting benzodiazepine allosteric binding site of wild-type and H129Y variant of GABAA receptor: an in-silico molecular docking study.	Int. J. Comput. Biol. Drug Des.	2021	DBLP DOI BibTeX RDF
12	Rosy Kumari, Ratish Chandra Mishra, Shivani Yadav, Jaya Parkash Yadav	Molecular docking studies of Staphylococcal clumping factor A inhibitors from Elettaria cardamomum and Acacia nilotica.	Int. J. Comput. Biol. Drug Des.	2021	DBLP DOI BibTeX RDF
12	Jainey Puthenveettil James, Afiya Abdul Aziz, Dhanya Krishnan, Pankaj Kumar, Abhishek Kumar	Molecular docking and pharmacophore modelling of phytoconstituents of vaccinium secundiflorum for antidiabetic and antioxidant activity.	Int. J. Comput. Biol. Drug Des.	2021	DBLP DOI BibTeX RDF
12	Bhanu Sharma	Pharmacokinetic and molecular docking studies of natural plant compounds of Hibiscus sabdariffa to design antihypertensive compounds targeting AT2R.	Int. J. Comput. Biol. Drug Des.	2021	DBLP DOI BibTeX RDF
12	Yan Hu, Feng Gao 0011, Xianchao Zhao, Tianhao Yang, Haoran Shen, Chenkun Qi, Rui Cao	A Parameter Dimension Reduction-Based Estimation Approach to Enhance the Kinematic Accuracy of a Parallel Hardware-in-the-Loop Docking Simulator.	Robotica	2021	DBLP DOI BibTeX RDF
12	Ya Zeng, Shen Xiao, Luna Yang, Kai Ma, Hanxiao Shang, Yinli Gao, Yuan Wang, Fei Zhai, Rongwu Xiang	Systematic analysis of the mechanism of Xiaochaihu decoction in hepatitis B treatment via network pharmacology and molecular docking.	Comput. Biol. Medicine	2021	DBLP DOI BibTeX RDF
12	Meenakshi Duhan, Parvin Kumar, Jayant Sindhu, Rahul Singh, Meena Devi, Ashwani Kumar, Ramesh Kumar, Sohan Lal	Exploring biological efficacy of novel benzothiazole linked 2, 5-disubstituted-1, 3, 4-oxadiazole hybrids as efficient α-amylase inhibitors: Synthesis, characterization, inhibition, molecular docking, molecular dynamics and Monte Carlo based QSAR studies.	Comput. Biol. Medicine	2021	DBLP DOI BibTeX RDF
12	Salvatore Vincenzo Giofrè, Edoardo Napoli, Nunzio Iraci, Antonio Speciale, Francesco Cimino, Claudia Muscarà, Maria Sofia Molonia, Giuseppe Ruberto, Antonella Saija	Interaction of selected terpenoids with two SARS-CoV-2 key therapeutic targets: An in silico study through molecular docking and dynamics simulations.	Comput. Biol. Medicine	2021	DBLP DOI BibTeX RDF
12	Susmit Mhatre, Vandana Patravale	Drug repurposing of triazoles against mucormycosis using molecular docking: A short communication.	Comput. Biol. Medicine	2021	DBLP DOI BibTeX RDF
12	Anish Nag, Subhabrata Paul, Ritesh Banerjee, Rita Kundu	In silico study of some selective phytochemicals against a hypothetical SARS-CoV-2 spike RBD using molecular docking tools.	Comput. Biol. Medicine	2021	DBLP DOI BibTeX RDF
12	Amit Kumar Singh, Harvesh Kumar Rana, Vishal Singh, Tara Chand Yadav, Pritish Kumar Varadwaj, Abhay Kumar Pandey	Evaluation of antidiabetic activity of dietary phenolic compound chlorogenic acid in streptozotocin induced diabetic rats: Molecular docking, molecular dynamics, in silico toxicity, in vitro and in vivo studies.	Comput. Biol. Medicine	2021	DBLP DOI BibTeX RDF
12	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
12	Kosar Sadat Ebrahimi, Mohabbat Ansari, Mahdieh S. Hosseyni Moghaddam, Zohre Ebrahimi, Zohre salehi, Mohsen Shahlaei, Sajad Moradi	In silico investigation on the inhibitory effect of fungal secondary metabolites on RNA dependent RNA polymerase of SARS-CoV-II: A docking and molecular dynamic simulation study.	Comput. Biol. Medicine	2021	DBLP DOI BibTeX RDF
12	De Jin, Jinghua Zhang, Yuqing Zhang, Xuedong An, Shenghui Zhao, Liyun Duan, Yuehong Zhang, Zhong Zhen, Fengmei Lian, Xiaolin Tong	Network pharmacology-based and molecular docking prediction of the active ingredients and mechanism of ZaoRenDiHuang capsules for application in insomnia treatment.	Comput. Biol. Medicine	2021	DBLP DOI BibTeX RDF
12	Susmit Mhatre, Shivraj Naik, Vandana Patravale	A molecular docking study of EGCG and theaflavin digallate with the druggable targets of SARS-CoV-2.	Comput. Biol. Medicine	2021	DBLP DOI BibTeX RDF
12	Sinosh Skariyachan, Dharshini Gopal, Aditi G. Muddebihalkar, Akshay Uttarkar, Vidya Niranjan	Structural insights on the interaction potential of natural leads against major protein targets of SARS-CoV-2: Molecular modelling, docking and dynamic simulation studies.	Comput. Biol. Medicine	2021	DBLP DOI BibTeX RDF
12	Selvakumar Murugesan, Sanjay Kottekad, Inchara Crasta, Sivakumar Sreevathsan, Dandamudi Usharani, Madan Kumar Perumal, Sandeep Narayan Mudliar	Targeting COVID-19 (SARS-CoV-2) main protease through active phytocompounds of ayurvedic medicinal plants - Emblica officinalis (Amla), Phyllanthus niruri Linn. (Bhumi Amla) and Tinospora cordifolia (Giloy) - A molecular docking and simulation study.	Comput. Biol. Medicine	2021	DBLP DOI BibTeX RDF
12	Sarah Hall-Swan, Didier Devaurs, Maurício Menegatti Rigo, Dinler A. Antunes, Lydia E. Kavraki, Geancarlo Zanatta	DINC-COVID: A webserver for ensemble docking with flexible SARS-CoV-2 proteins.	Comput. Biol. Medicine	2021	DBLP DOI BibTeX RDF
12	Yosef Masoudi-Sobhanzadeh, Behzad Jafari, Sepideh Parvizpour, Mohammad M. Pourseif, Yadollah Omidi	A novel multi-objective metaheuristic algorithm for protein-peptide docking and benchmarking on the LEADS-PEP dataset.	Comput. Biol. Medicine	2021	DBLP DOI BibTeX RDF
12	Reem Y. Aljindan, Abeer M. Al-Subaie, Ahoud I. Al-Ohali, D. Thirumal Kumar, C. George Priya Doss, Balu Kamaraj	Investigation of nonsynonymous mutations in the spike protein of SARS-CoV-2 and its interaction with the ACE2 receptor by molecular docking and MM/GBSA approach.	Comput. Biol. Medicine	2021	DBLP DOI BibTeX RDF
12	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
12	Shuangbao Song, Xingqian Chen, Yanxin Zhang, Zheng Tang, Yuki Todo	Protein-ligand docking using differential evolution with an adaptive mechanism.	Knowl. Based Syst.	2021	DBLP DOI BibTeX RDF
12	Philippe Grangier, Michel Gendreau, Fabien Lehuédé, Louis-Martin Rousseau	The vehicle routing problem with cross-docking and resource constraints.	J. Heuristics	2021	DBLP DOI BibTeX RDF
12	Takayuki Ando, Wataru Kugimiya, Tatsuya Hashimoto, Fujio Momiyama, Keiji Aoki, Kimihiko Nakano	Lateral Control in Precision Docking Using RTK-GNSS/INS and LiDAR for Localization.	IEEE Trans. Intell. Veh.	2021	DBLP DOI BibTeX RDF
12	Asefeh Hasani Goodarzi, Seyed Hessameddin Zegordi, Gülgün Alpan, Isa Nakhai Kamalabadi, Ali Husseinzadeh Kashan	Reliable cross-docking location problem under the risk of disruptions.	Oper. Res.	2021	DBLP DOI BibTeX RDF
12	Ri Lin, Feng Zhang, Dejun Li, Mingwei Lin, Gengli Zhou, Canjun Yang	An Improved Localization Method for the Transition between Autonomous Underwater Vehicle Homing and Docking.	Sensors	2021	DBLP DOI BibTeX RDF
12	Reza Shahabi-Shahmiri, Sobhan Asian, Reza Tavakkoli-Moghaddam, Seyed Meysam Mousavi, Mohsen Rajabzadeh	A routing and scheduling problem for cross-docking networks with perishable products, heterogeneous vehicles and split delivery.	Comput. Ind. Eng.	2021	DBLP DOI BibTeX RDF
12	Oluwatosin Theophilus, Maxim A. Dulebenets, Junayed Pasha, Yui-yip Lau, Amir Mohammad Fathollahi Fard, Arash Mazaheri	Truck scheduling optimization at a cold-chain cross-docking terminal with product perishability considerations.	Comput. Ind. Eng.	2021	DBLP DOI BibTeX RDF
12	Mukuo Wang, Shujing Hou, Yu Wei, Dongmei Li, Jianping Lin	Discovery of novel dual adenosine A1/A2A receptor antagonists using deep learning, pharmacophore modeling and molecular docking.	PLoS Comput. Biol.	2021	DBLP DOI BibTeX RDF
12	Jeff Guo, Jon Paul Janet, Matthias R. Bauer, Eva Nittinger, Kathryn A. Giblin, Kostas Papadopoulos, Alexey Voronov, Atanas Patronov, Ola Engkvist, Christian Margreitter	DockStream: a docking wrapper to enhance de novo molecular design.	J. Cheminformatics	2021	DBLP DOI BibTeX RDF
12	Andrew T. McNutt, Paul G. Francoeur, Rishal Aggarwal, Tomohide Masuda, Rocco Meli, Matthew Ragoza, Jocelyn Sunseri, David Ryan Koes	GNINA 1.0: molecular docking with deep learning.	J. Cheminformatics	2021	DBLP DOI BibTeX RDF
12	Xinyu Zhai, Minyue Tan, Zhong Wan, Yi Ding, Minyao Ge, Dongliang Xu	Mechanism of action of the Wuzi Yanzong prescription to treat asthenozoospermia based on network pharmacology and molecular docking.	Int. J. Data Min. Bioinform.	2021	DBLP DOI BibTeX RDF
12	Feihu Zhang, Yaohui Zhong, Liyuan Chen, Zhiliang Wang	Event-Based Circular Detection for AUV Docking Based on Spiking Neural Network.	Frontiers Neurorobotics	2021	DBLP DOI BibTeX RDF
12	Dan Yu, Peng Liu, Dezhi Qiao, Xianglong Tang	A Safety Prediction System for Lunar Orbit Rendezvous and Docking Mission.	Algorithms	2021	DBLP DOI BibTeX RDF
12	Maciej Marcin Michalek, Tomasz Gawron, Michal R. Nowicki, Piotr Skrzypczynski	Precise Docking at Charging Stations for Large-Capacity Vehicles: An Advanced Driver-Assistance System for Drivers of Electric Urban Buses.	IEEE Veh. Technol. Mag.	2021	DBLP DOI BibTeX RDF
12	Tanmoy Dutta, Nabajyoti Baildya, Abdul Ashik Khan, Narendra Nath Ghosh	Inhibitory effect of anti-HIV compounds extracted from Indian medicinal plants to retard the replication and transcription process of SARS-CoV-2: an insight from molecular docking and MD-simulation studies.	Netw. Model. Anal. Health Informatics Bioinform.	2021	DBLP DOI BibTeX RDF
12	Fariya Khan, Ajay Kumar	An integrative docking and simulation-based approach towards the development of epitope-based vaccine against enterotoxigenic Escherichia coli.	Netw. Model. Anal. Health Informatics Bioinform.	2021	DBLP DOI BibTeX RDF
12	Fatemeh Barzegar, Zahra Pahlavan Yali, Mohammad Hossein Fatemi	Study the inhibitory effect of some plant origin flavonoids against targetable cancer receptors GRP78 by molecular docking.	Netw. Model. Anal. Health Informatics Bioinform.	2021	DBLP DOI BibTeX RDF
12	Jiya Channotiya, Apoorv Tiwari, Gohar Taj, A. K. Verma, Ashutosh Dubey	In-silico and Molecular Docking Studies on Germacrene A Synthase enzyme and sesuiterpene lactone (Lactucin) involved in antimalarial activity of Cichorium intybus.	Netw. Model. Anal. Health Informatics Bioinform.	2021	DBLP DOI BibTeX RDF
12	Renuka Suravajhala, Abhinav Parashar, Gourav Choudhir, Anuj Kumar, Babita Malik, Viswanathan Arun Nagaraj, Govindarajan Padmanaban, Rathnagiri Polavarapu, Prashanth Suravajhala, P. B. Kavi Kishor	Molecular docking and dynamics studies of curcumin with COVID-19 proteins.	Netw. Model. Anal. Health Informatics Bioinform.	2021	DBLP DOI BibTeX RDF
12	Sapan Shah, Dinesh Chaple, Sumit Arora, Subhash Yende, Keshav Moharir, Govind Lohiya	Exploring the active constituents of Oroxylum indicum in intervention of novel coronavirus (COVID-19) based on molecular docking method.	Netw. Model. Anal. Health Informatics Bioinform.	2021	DBLP DOI BibTeX RDF
12	Mustafa Alhaji Isa, Mohammed Mustapha Mohammed	Molecular docking and dynamic simulation of UDP-N-acetylenolpyruvoylglucosamine reductase (MurB) obtained from Mycobacterium tuberculosis using in silico approach.	Netw. Model. Anal. Health Informatics Bioinform.	2021	DBLP DOI BibTeX RDF
12	Hakani D. Sympli	Estimation of drug-likeness properties of GC-MS separated bioactive compounds in rare medicinal Pleione maculata using molecular docking technique and SwissADME in silico tools.	Netw. Model. Anal. Health Informatics Bioinform.	2021	DBLP DOI BibTeX RDF
12	Ramesh Thimmasandra Narayan	Binding ability of arginine, citrulline, N-acetyl citrulline and thiocitrulline with SARS COV-2 main protease using molecular docking studies.	Netw. Model. Anal. Health Informatics Bioinform.	2021	DBLP DOI BibTeX RDF
12	Shalja Verma, Anand Kumar Pandey	Epicatechin an incredible tool to dissociate MDM2-p53 interaction for treatment of glioblastomas: a molecular docking and molecular dynamics simulation approach.	Netw. Model. Anal. Health Informatics Bioinform.	2021	DBLP DOI BibTeX RDF
12	Gedaliah Knizhnik, Mark Yim	Docking and Undocking a Modular Underactuated Oscillating Swimming Robot.	ICRA	2021	DBLP DOI BibTeX RDF
12	Georgios Bolanakis, Kostas Nanos, Evangelos Papadopoulos	A QR Code-based High-Precision Docking System for Mobile Robots Exhibiting Submillimeter Accuracy.	AIM	2021	DBLP DOI BibTeX RDF