An Efficient Low Storage and Memory Treatment of Gridded Interaction Fields for Simulations of Macromolecular Association-Reference-Cited by-同舟云学术

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An Efficient Low Storage and Memory Treatment of Gridded Interaction Fields for Simulations of Macromolecular Association

Published:2016-08-16 Issue:9 Volume:12 Page:4563-4577
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Ozboyaci Musa¹²,Martinez Michael¹,Wade Rebecca C.¹³⁴

Affiliation:

1. Heidelberg Institute for Theoretical Studies (HITS), Schloss-Wolfsbrunnenweg 35, 69118 Heidelberg, Germany

2. Heidelberg Graduate School of Mathematical and Computational Methods for the Sciences, Heidelberg University, INF 205, 69120 Heidelberg, Germany

3. Zentrum für Molekulare Biologie der Universität Heidelberg, DKFZ-ZMBH Allianz, INF 282, 69120 Heidelberg, Germany

4. Interdisciplinary Center for Scientific Computing, Heidelberg University, INF 205, 69120 Heidelberg, Germany

Funder

Heidelberg Graduate School of Mathematical and Computational Methods for the Sciences, University of Heidelberg

Klaus Tschira Stiftung

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.6b00350

Reference72 articles.

1. Biomolecular diffusional association

2. Docking unbound proteins using shape complementarity, desolvation, and electrostatics

3. Protein–Protein Docking with Simultaneous Optimization of Rigid-body Displacement and Side-chain Conformations

4. pyDock: Electrostatics and desolvation for effective scoring of rigid-body protein-protein docking

5. MS-DOCK: Accurate multiple conformation generator and rigid docking protocol for multi-step virtual ligand screening

Cited by 2 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. Brownian dynamics simulations of biomolecular diffusional association processes;WIREs Computational Molecular Science;2022-12-14

2. Brownian Dynamics Simulations of Proteins in the Presence of Surfaces: Long-Range Electrostatics and Mean-Field Hydrodynamics;Journal of Chemical Theory and Computation;2021-03-30

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