Efficient screening of protein-ligand complexes in lipid bilayers using LoCoMock score
Published 2023 View Full Article
- Home
- Publications
- Publication Search
- Publication Details
Title
Efficient screening of protein-ligand complexes in lipid bilayers using LoCoMock score
Authors
Keywords
-
Journal
JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN
Volume 37, Issue 4, Pages 217-225
Publisher
Springer Science and Business Media LLC
Online
2023-03-21
DOI
10.1007/s10822-023-00502-8
References
Ask authors/readers for more resources
Related references
Note: Only part of the references are listed.- A Practical Prediction of LogPo/w through Semiempirical Electronic Structure Calculations with Dielectric Continuum Model
- (2021) Teruyuki Takahashi et al. BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN
- AutoDock Vina 1.2.0: New Docking Methods, Expanded Force Field, and Python Bindings
- (2021) Jerome Eberhardt et al. Journal of Chemical Information and Modeling
- Structures of the human cholecystokinin 1 (CCK1) receptor bound to Gs and Gq mimetic proteins provide insight into mechanisms of G protein selectivity
- (2021) Jesse I. Mobbs et al. PLOS BIOLOGY
- A deep learning approach for the blind logP prediction in SAMPL6 challenge
- (2020) Samarjeet Prasad et al. JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN
- Impact of GPCR Structures on Drug Discovery
- (2020) Miles Congreve et al. CELL
- Structural Basis of WLS/Evi-Mediated Wnt Transport and Secretion
- (2020) Rie Nygaard et al. CELL
- A 3.3 Å-Resolution Structure of Hyperthermophilic Respiratory Complex III Reveals the Mechanism of Its Thermal Stability
- (2019) Guoliang Zhu et al. ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
- Structural changes at the surface of cytochrome c oxidase alter the proton-pumping stoichiometry
- (2019) Johan Berg et al. BIOCHIMICA ET BIOPHYSICA ACTA-BIOENERGETICS
- Effect of Atomic Charges on Octanol–Water Partition Coefficient Using Alchemical Free Energy Calculation
- (2018) Koji Ogata et al. MOLECULES
- Comparative Assessment of Scoring Functions: The CASF-2016 Update
- (2018) Minyi Su et al. Journal of Chemical Information and Modeling
- GPCR drug discovery: integrating solution NMR data with crystal and cryo-EM structures
- (2018) Ichio Shimada et al. NATURE REVIEWS DRUG DISCOVERY
- Trends in GPCR drug discovery: new agents, targets and indications
- (2017) Alexander S. Hauser et al. NATURE REVIEWS DRUG DISCOVERY
- Targeting Energy Metabolism in Mycobacterium tuberculosis , a New Paradigm in Antimycobacterial Drug Discovery
- (2017) Dirk Bald et al. mBio
- Memdock: an α-helical membrane protein docking algorithm
- (2016) Naama Hurwitz et al. BIOINFORMATICS
- Calculating Partition Coefficients of Small Molecules in Octanol/Water and Cyclohexane/Water
- (2016) Caitlin C. Bannan et al. Journal of Chemical Theory and Computation
- The HADDOCK2.2 Web Server: User-Friendly Integrative Modeling of Biomolecular Complexes
- (2016) G.C.P. van Zundert et al. JOURNAL OF MOLECULAR BIOLOGY
- Identification and regulation of the catalytic promiscuity of (−)-γ-lactamase from Microbacterium hydrocarbonoxydans
- (2015) Yu Sun et al. APPLIED MICROBIOLOGY AND BIOTECHNOLOGY
- The MM/PBSA and MM/GBSA methods to estimate ligand-binding affinities
- (2015) Samuel Genheden et al. Expert Opinion on Drug Discovery
- Computational prediction of octanol–water partition coefficient based on the extended solvent-contact model
- (2015) Taeho Kim et al. JOURNAL OF MOLECULAR GRAPHICS & MODELLING
- PDB-wide collection of binding data: current status of the PDBbind database
- (2014) Zhihai Liu et al. BIOINFORMATICS
- iLOGP: A Simple, Robust, and Efficient Description of n-Octanol/Water Partition Coefficient for Drug Design Using the GB/SA Approach
- (2014) Antoine Daina et al. Journal of Chemical Information and Modeling
- Internal Lipid Architecture of the Hetero-Oligomeric Cytochrome b6f Complex
- (2014) S. Saif Hasan et al. STRUCTURE
- rDock: A Fast, Versatile and Open Source Program for Docking Ligands to Proteins and Nucleic Acids
- (2014) Sergio Ruiz-Carmona et al. PLoS Computational Biology
- Lessons Learned in Empirical Scoring with smina from the CSAR 2011 Benchmarking Exercise
- (2013) David Ryan Koes et al. Journal of Chemical Information and Modeling
- Structures of reduced and ligand-bound nitric oxide reductase provide insights into functional differences in respiratory enzymes
- (2013) Nozomi Sato et al. PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS
- Light-induced quinone reduction in photosystem II
- (2011) Frank Müh et al. BIOCHIMICA ET BIOPHYSICA ACTA-BIOENERGETICS
- OPM database and PPM web server: resources for positioning of proteins in membranes
- (2011) Mikhail A. Lomize et al. NUCLEIC ACIDS RESEARCH
- SwissDock, a protein-small molecule docking web service based on EADock DSS
- (2011) A. Grosdidier et al. NUCLEIC ACIDS RESEARCH
- Quinone binding and reduction by respiratory complex I
- (2010) Maja A. Tocilescu et al. BIOCHIMICA ET BIOPHYSICA ACTA-BIOENERGETICS
- Advances and Challenges in Protein-Ligand Docking
- (2010) Sheng-You Huang et al. INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
- AutoDock4 and AutoDockTools4: Automated docking with selective receptor flexibility
- (2009) Garrett M. Morris et al. JOURNAL OF COMPUTATIONAL CHEMISTRY
- Crystal Structures of Different Substates of Bacteriorhodopsin's M Intermediate at Various pH Levels
- (2009) Masataka Yamamoto et al. JOURNAL OF MOLECULAR BIOLOGY
- Lipid Bilayer Structure Determined by the Simultaneous Analysis of Neutron and X-Ray Scattering Data
- (2008) Norbert Kučerka et al. BIOPHYSICAL JOURNAL
Publish scientific posters with Peeref
Peeref publishes scientific posters from all research disciplines. Our Diamond Open Access policy means free access to content and no publication fees for authors.
Learn MoreAsk a Question. Answer a Question.
Quickly pose questions to the entire community. Debate answers and get clarity on the most important issues facing researchers.
Get Started