Molecular dynamics

Conversion of light into macroscopic helical motion

Supitchaya Iamsaard, Sarah J. Aßhoff, Benjamin Matt, Tibor Kudernác, Jeroen J. L. M. Cornelissen, Stephen P. Fletcher, Nathalie Katsonis

Citations: 749 • 2014

Torsion angle dynamics: Reduced variable conformational sampling enhances crystallographic structure refinement

Luke M. Rice, Axel T. Brünger

Citations: 367 • 1994

Improvements to Robotics-Inspired Conformational Sampling in Rosetta

Amelie Stein, Tanja Kortemme

Citations: 216 • 2013

Strongly Coupled Interfacial Engineering Inspired by Robotic Arms Enable High‐Performance Sodium‐Ion Capacitors

Zirui Song, Guiyu Zhang, Xinglan Deng, Ye Tian, Xuhuan Xiao, Wentao Deng, Hongshuai Hou, Guoqiang Zou, Xiaobo Ji

Citations: 203 • 2022

A motion planning approach to flexible ligand binding.

Aakriti Singh, J.-C. Latombe, Douglas L. Brutlag

Citations: 107 • 1999

Geometric algorithms for the conformational analysis of long protein loops

Jorge Cortés, Thierry Siméon, Magali Remaud‐Siméon, V.H. Tran

Citations: 98 • 2004

Robust thermoelastic microactuator based on an organic molecular crystal

Yulong Duan, Sergey Semin, Paul Tinnemans, H. M. Cuppen, Jialiang Xu, Th. Rasing

Citations: 88 • 2019

Carbohydrate–Protein Interactions

Serge Pérez, Igor Tvaroška

Citations: 84 • 2014

Dynamic DNA Origami Device for Measuring Compressive Depletion Forces

Michael W. Hudoba, Yi Luo, Angelita Zacharias, Michael G. Poirier, Carlos E. Castro

Citations: 71 • 2017

Protruding organic surfaces triggered by in-plane electric fields

Danqing Liu, Nicholas B. Tito, Dirk J. Broer

Citations: 69 • 2017

Autonomous model protocell division driven by molecular replication

James W. Taylor, Seyed Ali Eghtesadi, Laurie J. Points, Tianbo Liu, Leroy Cronin

Citations: 59 • 2017

Guiding the Search for Native-like Protein Conformations with an Ab-initio Tree-based Exploration

Amarda Shehu, Brian Olson

Citations: 56 • 2010

Conformational analysis of molecular chains using nano-kinematics

Dinesh Manocha, Yunshan Zhu, William V. Wright

Citations: 51 • 1995

Protein folding by motion planning

Shawna Thomas, Guang Song, Nancy M. Amato

Citations: 51 • 2005

Modeling protein conformational transitions by a combination of coarse-grained normal mode analysis and robotics-inspired methods

Ibrahim Al-Bluwi, Marc Vaisset, Thierry Siméon, Juan Cortés

Citations: 46 • 2013

Molecular dynamics simulations on adhesion energy of PDMS-silica interface caused by molecular structures and temperature

Pan Gao, Wei Pu, Pengchong Wei, Miqiu Kong

Citations: 46 • 2021

Capturing molecular energy landscapes with probabilistic conformational roadmaps

Mehmet Serkan Apaydın, Amit Pal Singh, Douglas L. Brutlag, J.-C. Latombe

Citations: 42 • 2002

Hydrogen-deuterium exchange mass spectrometry reveals folding and allostery in protein-protein interactions

César A. Ramírez‐Sarmiento, Elizabeth A. Komives

Citations: 40 • 2018

The Conformational Contribution to Molecular Complexity and Its Implications for Information Processing in Living Beings and Chemical Artificial Intelligence

Pier Luigi Gentili

Citations: 32 • 2024

Elucidating the ensemble of functionally-relevant transitions in protein systems with a robotics-inspired method

Kevin Molloy, Amarda Shehu

Citations: 31 • 2013