关注
Robert Dean Malmstrom
Robert Dean Malmstrom
Vividion Therapeutics
在 ucsd.edu 的电子邮件经过验证
标题
引用次数
引用次数
年份
Emerging computational methods for the rational discovery of allosteric drugs
JR Wagner, CT Lee, JD Durrant, RD Malmstrom, VA Feher, RE Amaro
Chemical reviews 116 (11), 6370-6390, 2016
2212016
Structure-based discovery of dengue virus protease inhibitors
SM Tomlinson, RD Malmstrom, A Russo, N Mueller, YP Pang, ...
Antiviral research 82 (3), 110-114, 2009
1382009
New approaches to structure-based discovery of dengue protease inhibitors
SM Tomlinson, RD Malmstrom, SJ Watowich
Infectious Disorders-Drug Targets (Formerly Current Drug Targets-Infectious …, 2009
1182009
Application of molecular-dynamics based markov state models to functional proteins
RD Malmstrom, CT Lee, AT Van Wart, RE Amaro
Journal of chemical theory and computation 10 (7), 2648-2657, 2014
1072014
Allostery through the computational microscope: cAMP activation of a canonical signalling domain
RD Malmstrom, AP Kornev, SS Taylor, RE Amaro
Nature communications 6 (1), 7588, 2015
962015
Structural basis for substrate specificity of alphavirus nsP2 proteases
AT Russo, RD Malmstrom, MA White, SJ Watowich
Journal of Molecular Graphics and Modelling 29 (1), 46-53, 2010
482010
Using free energy of binding calculations to improve the accuracy of virtual screening predictions
RD Malmstrom, SJ Watowich
Journal of chemical information and modeling 51 (7), 1648-1655, 2011
412011
A Kepler workflow tool for reproducible AMBER GPU molecular dynamics
S Purawat, PU Ieong, RD Malmstrom, GJ Chan, AK Yeung, RC Walker, ...
Biophysical Journal 112 (12), 2469-2474, 2017
322017
Bridging scales through multiscale modeling: a case study on protein kinase A
BW Boras, SP Hirakis, LW Votapka, RD Malmstrom, RE Amaro, ...
Frontiers in physiology 6, 250, 2015
272015
Electrostatic interactions as mediators in the allosteric activation of protein kinase A RIα
E P. Barros, RD Malmstrom, K Nourbakhsh, JC Del Rio, AP Kornev, ...
Biochemistry 56 (10), 1536-1545, 2017
182017
Capturing invisible motions in the transition from ground to rare excited states of T4 lysozyme L99A
JM Schiffer, VA Feher, RD Malmstrom, R Sida, RE Amaro
Biophysical journal 111 (8), 1631-1640, 2016
182016
Model of the ankyrin and SOCS box protein, ASB9, E3 ligase reveals a mechanism for dynamic ubiquitin transfer
JM Schiffer, RD Malmstrom, J Parnell, C Ramirez-Sarmiento, J Reyes, ...
Structure 24 (8), 1248-1256, 2016
142016
Molecular simulations reveal an unresolved conformation of the type IA protein kinase A regulatory subunit and suggest its role in the cAMP regulatory mechanism
SP Hirakis, RD Malmstrom, RE Amaro
Biochemistry 56 (30), 3885-3888, 2017
132017
Cytotoxicity of selected medicinal and nonmedicinal plant extracts to microbial and cervical cancer cells
GM Booth, RD Malmstrom, E Kipp, A Paul
BioMed Research International 2012 (1), 106746, 2012
122012
Progress towards automated Kepler scientific workflows for computer-aided drug discovery and molecular simulations
PU Ieong, J Sørensen, PL Vemu, CW Wong, Ö Demir, NP Williams, ...
Procedia computer science 29, 1745-1755, 2014
102014
OCRE Domains of Splicing Factors RBM5 and RBM10: Tyrosine Ring‐Flip Frequencies Determined by Integrated Use of 1H NMR Spectroscopy and Molecular …
BT Martin, RD Malmstrom, RE Amaro, K Wüthrich
ChemBioChem 22 (3), 565-570, 2021
32021
Cytotoxicity of selected plant extracts to microbial and cervical-cancer cells.
RD Malmstrom, E Kipp, A Paul, G Booth
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 221, U174-U174, 2001
32001
Seeing the unseen: Sampling the excited state of T4 lysozyme L99A with simulations on the Anton supercomputer
J Schiffer, R Sida, D Arciniega, R Malmstrom, V Feher, R Amaro
Biophysical Journal 110 (3), 11a-12a, 2016
12016
PI3KGAMMA inhibitors
J Varner, R Amaro, M Kaneda, R Malmstrom, V Feher
US Patent 11,344,559, 2022
2022
Community participation in the D3R Continuous Evaluation of Ligand Pose Prediction (CELPP) competition
J Wagner, S Liu, S Gathiaka, R Malmstrom, M Gilson, R Amaro
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 253, 2017
2017
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