Computational chemistry

Cross-Coupling Reactions

Norio Miyaura

引用数: 527 • 2002

Improvements to Robotics-Inspired Conformational Sampling in Rosetta

Amelie Stein, Tanja Kortemme

引用数: 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

引用数: 203 • 2022

Ultrahigh-Throughput Experimentation for Information-Rich Chemical Synthesis

Babak Mahjour, Yuning Shen, Tim Cernak

引用数: 114 • 2021

Fluxional Boron Clusters: From Theory to Reality

Sudip Pan, Jorge Barroso, Said Jalife, Thomas Heine, Knut R. Asmis, Gabriel Merino

引用数: 110 • 2019

A motion planning approach to flexible ligand binding.

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

引用数: 107 • 1999

Geometric algorithms for the conformational analysis of long protein loops

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

引用数: 98 • 2004

Robust thermoelastic microactuator based on an organic molecular crystal

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

引用数: 88 • 2019

Carbohydrate–Protein Interactions

Serge Pérez, Igor Tvaroška

引用数: 84 • 2014

Dynamic DNA Origami Device for Measuring Compressive Depletion Forces

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

引用数: 71 • 2017

Autonomous model protocell division driven by molecular replication

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

引用数: 59 • 2017

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

Amarda Shehu, Brian Olson

引用数: 56 • 2010

Conformational analysis of molecular chains using nano-kinematics

Dinesh Manocha, Yunshan Zhu, William V. Wright

引用数: 51 • 1995

Protein folding by motion planning

Shawna Thomas, Guang Song, Nancy M. Amato

引用数: 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

引用数: 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

引用数: 46 • 2021

Capturing molecular energy landscapes with probabilistic conformational roadmaps

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

引用数: 42 • 2002

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

César A. Ramírez‐Sarmiento, Elizabeth A. Komives

引用数: 40 • 2018

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

Pier Luigi Gentili

引用数: 32 • 2024

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

Kevin Molloy, Amarda Shehu

引用数: 31 • 2013