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Research article

First published 2021

Ligand Docking Methods to Recognize Allosteric Inhibitors for G-Protein-Coupled Receptors

K Harini, S Jayashree, Vikas Tiwari [...]

Bioinformatics and Biology Insights

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Other

First published 2002-6

Stochastic Optimisation Methods for Biomolecular Structure Prediction

T. Herges, H. Merlitz, W. Wenzel

Journal of Laboratory Automation

Retricted access

Research article

First published 2019-7

Salvindolin elicits opioid system-mediated antinociceptive and antidepressant-like activities

Adam W Keasling, Pankaj Pandey, Robert J Doerksen [...]

Journal of Psychopharmacology

Open access

Research article

First published 2022-3

Discovery of an SphK1 inhibitor: A hybrid approach involving a receptor–ligand-complex-based pharmacophore and docking-based virtual screening

Tiandi Ding, HaiJiao Chen, Yan Li [...]

Journal of Chemical Research

Retricted access

Research article

First published 2014-03

HarmonyDOCK: The Structural Analysis of Poses in Protein-Ligand Docking

Dariusz Plewczynski, Anna Philips, Marcin Von Grotthuss [...]

Journal of Computational Biology

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Research article

First published 2014-7

A new insight into computational molecular design: A case study on BACE-1 inhibitors

Nima Razzaghi-Asl, Bahram Hemmateenejad, Ahmad Ebadi [...]

Journal of Computational Methods in Sciences and Engineering

Open access

Research article

First published 2022-5

Combining classical molecular docking with self-consistent charge density-functional tight-binding computations for the efficient and quality prediction of ligand binding structure

Amar Y Al-Ansi, Haorui Lu, Zijing Lin

Journal of Chemical Research

Free access

Research article

First published 2017-9

An Innovative High-Throughput Screening Approach for Discovery of Small Molecules That Inhibit TNF Receptors

Chih Hung Lo, Nagamani Vunnam, Andrew K. Lewis [...]

Journal of Biomolecular Screening

Free access

Research article

First published 2005-10

Virtual Ligand Screening against Escherichia coli Dihydrofolate Reductase: Improving Docking Enrichment Using Physics-Based Methods

Katarzyna Bernacki, Chakrapani Kalyanaraman, Matthew P. Jacobson

Journal of Biomolecular Screening

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Research article

First published 1998-12

A Method for Biomolecular Structural Recognition and Docking Allowing Conformational Flexibility

Bilha Sandak, Ruth Nussinov, Haim J. Wolfson

Journal of Computational Biology

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