Arjan Van der Vaart

Prof. Arjan Van der Vaart


Research Focus & Metrics

Academic Career Length

17Years (2010-Present)

(Calculated once Scilit publication data is synced: current year − year of first publication + 1)

Representative Publications

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20 September 2024 in The Journal of Physical Chemistry B
Verified
Journal Article
Open access
WHWonmuk Hwang
Wonmuk Hwang
SASteven L. Austin
Steven L. Austin
ABArnaud Blondel
Arnaud Blondel
EBEric D. Boittier
Eric D. Boittier
SBStefan Boresch
Stefan Boresch
MKMartin Karplus
Martin Karplus
Since its inception nearly a half century ago, CHARMM has been playing a central role in computational biochemistry and biophysics. Commensurate with the developments in experimental research and advances in computer hardware, the range of methods and applicability of CHARMM have also grown. This review summarizes major developments that occurred after 2009 when the last review of CHARMM was published. They include the following: new faster simulation engines, accessible user interfaces for convenient workflows, and a vast array of simulation and analysis methods that encompass quantum mechanical, atomistic, and coarse-grained levels, as well as extensive coverage of force fields. In addition to providing the current snapshot of the CHARMM development, this review may serve as a starting point for exploring relevant theories and computational methods for tackling contemporary and emerging problems in biomolecular systems. CHARMM is freely available for academic and nonprofit research at https://academiccharmm.org/program.

1 February 2011 in Biophysical Journal
Verified
Journal Article
Closed access
JSJustin Spiriti
Justin Spiriti
JBJennifer K. Binder
Jennifer K. Binder
MLMarcia Levitus
Marcia Levitus
AVArjan Van der Vaart
Arjan Van der Vaart

28 March 2018 in Journal of the American Chemical Society
Verified
Journal Article
Closed access
Peng TengPeng Teng
Peng Teng
ZNZheng Niu
Zheng Niu
FSFengyu She
Fengyu She
MZMi Zhou
Mi Zhou
PSPeng Sang
Peng Sang
Jianfeng CaiJianfeng Cai
Jianfeng Cai

11 June 2018 in Angewandte Chemie International Edition
Verified
Journal Article
Closed access
PDF file
FSFengyu She
Fengyu She
Peng TengPeng Teng
Peng Teng
APAlfredo Peguero‐Tejada
Alfredo Peguero‐Tejada
MWMinghui Wang
Minghui Wang
NMNing Ma
Ning Ma
Jianfeng CaiJianfeng Cai
Jianfeng Cai

16 May 2017 in Journal of the American Chemical Society
Verified
Journal Article
Closed access
Peng TengPeng Teng
Peng Teng
NMNing Ma
Ning Ma
DCD. Cole Cerrato
D. Cole Cerrato
FSFengyu She
Fengyu She
TOTimothy Odom
Timothy Odom
Jianfeng CaiJianfeng Cai
Jianfeng Cai

7 April 2019 in Angewandte Chemie International Edition
Verified
Journal Article
Closed access
PDF file
Peng TengPeng Teng
Peng Teng
GGGeoffrey M. Gray
Geoffrey M. Gray
MZMengmeng Zheng
Mengmeng Zheng
SSSylvia Singh
Sylvia Singh
XLXiaopeng Li
Xiaopeng Li
Jianfeng CaiJianfeng Cai
Jianfeng Cai