Improved Docking of Polypeptides with Glide

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Glide: A new approach for rapid, accurate docking and scoring. 1. Method and assessment of docking accuracy

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Glide: A New Approach for Rapid, Accurate Docking and Scoring. 2. Enrichment Factors in Database Screening

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Announcing the worldwide Protein Data Bank

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Novel procedure for modeling ligand/receptor induced fit effects.

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Reaching for high-hanging fruit in drug discovery at protein–protein interfaces

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Prediction of Absolute Solvation Free Energies using Molecular Dynamics Free Energy Perturbation and the OPLS Force Field

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Identifying and Characterizing Binding Sites and Assessing Druggability

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Synthetic therapeutic peptides: science and market

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The VSGB 2.0 model: A next generation energy model for high resolution protein structure modeling

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New Method for Fast and Accurate Binding‐site Identification and Analysis

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PEP-FOLD: an updated de novo structure prediction server for both linear and disulfide bonded cyclic peptides

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A detailed comparison of current docking and scoring methods on systems of pharmaceutical relevance

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ConfGen: A Conformational Search Method for Efficient Generation of Bioactive Conformers

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Sub-angstrom modeling of complexes between flexible peptides and globular proteins

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The Structural Basis of Peptide-Protein Binding Strategies

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Discovering and improving novel peptide therapeutics

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LowModeMD—Implicit Low-Mode Velocity Filtering Applied to Conformational Search of Macrocycles and Protein Loops

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Rosetta FlexPepDock ab-initio: Simultaneous Folding, Docking and Refinement of Peptides onto Their Receptors

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Drug-like Bioactive Structures and Conformational Coverage with the LigPrep/ConfGen Suite: Comparison to Programs MOE and Catalyst

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PEPstr: A de novo Method for Tertiary Structure Prediction of Small Bioactive Peptides

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A Unified Conformational Selection and Induced Fit Approach to Protein-Peptide Docking

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Extending Half-life by Indirect Targeting of the Neonatal Fc Receptor (FcRn) Using a Minimal Albumin Binding Domain

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Receptor-Fc fusion therapeutics, traps, and MIMETIBODY™ technology

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DynaDock: A new molecular dynamics‐based algorithm for protein–peptide docking including receptor flexibility

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Comparative Performance of Several Flexible Docking Programs and Scoring Functions: Enrichment Studies for a Diverse Set of Pharmaceutically Relevant Targets

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PepCrawler: a fast RRT-based algorithm for high-resolution refinement and binding affinity estimation of peptide inhibitors

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Ab initio prediction of peptide‐MHC binding geometry for diverse class I MHC allotypes

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A Flexible Docking Procedure for the Exploration of Peptide Binding Selectivity to Known Structures and Homology Models of PDZ Domains

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Numerical Errors and Chaotic Behavior in Docking Simulations

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Peptide-Based Anticancer Vaccines: Recent Advances and Future Perspectives

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All-Atom Monte Carlo Approach to Protein–Peptide Binding

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Macromolecular modeling and design in Rosetta: recent methods and frameworks

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Utilization of fruit and vegetable waste to produce value-added products: Conventional utilization and emerging opportunities. A review

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Spatial immunophenotypes predict response to anti-PD1 treatment and capture distinct paths of T cell evasion in triple negative breast cancer

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Recent advances in colon drug delivery systems

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Lactate as a Signaling Molecule That Regulates Exercise-Induced Adaptations

Nalbandian, M., & Takeda, M. (2016) · Biology · doi:10.3390/biology5040038 · Cited by 174 · see citing works

Energy and environmental benefits of circular economy strategies: The case study of reusing used batteries from electric vehicles

Cusenza, M. A., Guarino, F., Longo, S., Ferraro, M., & Cellura, M. (2019) · Journal of Energy Storage · doi:10.1016/j.est.2019.100845 · Cited by 150 · see citing works

Review on integrated biofuel production from microalgal biomass through the outset of transesterification route: a cascade approach for sustainable bioenergy

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Explaining the (non-)adoption of advanced data analytics in auditing: A process theory

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Does Observability Affect Prosociality?

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Emerging radiative materials and prospective applications of radiative sky cooling - A review

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People trying to lose weight dislike calorie counting apps and want motivational support to help them achieve their goals

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A cross-validated cytoarchitectonic atlas of the human ventral visual stream

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Understanding Service Usage and Needs for Adults with ASD: The Importance of Living Situation

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Child Psychological Functioning During the COVID-19 Lockdown: An Ecological, Family-Centered Approach

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Field experiment of smartphone-based energy efficiency services for households: Impact of advice through push notifications

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Evolution of Cooperation with Heterogeneous Conditional Cooperators

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Navigating the potential of algal peptides: health effects, market applications, and scientific challenges

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Protein–Ligand Docking in Drug Design

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CSAlign and CSAlign-Dock: Structure alignment of ligands considering full flexibility and application to protein–ligand docking

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Prediction of Protein-compound Complex Structures by Docking Simulation

Fukunishi, Y. (2011) · Seibutsu Butsuri · doi:10.2142/biophys.51.252

Application of Conformational Clustering in Protein–Ligand Docking

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Small Molecule Docking and Scoring

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